84541-38-8

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CHEMISTRY

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BUILDING BLOCK

1 Suppliers, 1 End Use APIs, 30 Related Intermediates

1 Suppliers
1 End Use APIs
30 Related Intermediates

Chemistry

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Also known as: 84541-38-8, [6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone, Methanone,[6-methoxy-2-(4-methoxyphenyl)benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]-, Schembl1665661, Chembl1195663, Dtxsid00444581

Molecular Formula

C₃₀H₃₁NO₄S

Molecular Weight

501.6 g/mol

InChI Key

MSRYQTKAUSVEDP-UHFFFAOYSA-N

1 2D Structure

84541-38-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone

2.1.2 InChI

InChI=1S/C30H31NO4S/c1-33-23-10-8-22(9-11-23)30-28(26-15-14-25(34-2)20-27(26)36-30)29(32)21-6-12-24(13-7-21)35-19-18-31-16-4-3-5-17-31/h6-15,20H,3-5,16-19H2,1-2H3

2.1.3 InChI Key

MSRYQTKAUSVEDP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)OC)C(=O)C4=CC=C(C=C4)OCCN5CCCCC5

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 84541-38-8

2. [6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone

3. Methanone,[6-methoxy-2-(4-methoxyphenyl)benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]-

4. Schembl1665661

5. Chembl1195663

6. Dtxsid00444581

7. Zinc13834282

8. Akos030255850

9. [6-methoxy-2-(4-methoxyphenyl)benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]methanone

10. 6-methoxy-2-(4-methoxyphenyl)benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]-methanone

11. Hy-135580

12. Cs-0113546

13. Ft-0674307

14. Ft-0674308

15. 2-(4-methoxyphenyl)-3-[4-(2-piperidinoethoxy)benzoyl]-6-methoxybenzo[b]thiophene

16. 6-methoxy-2-(4-methoxyphenyl)-3-[4-(2-piperidinoethoxy)benzoyl]benzo[b]thiophene

17. 6-methoxy-2-(4-methoxyphenyl)-3-[4-(2-piperidinylethoxy)benzoyl]benzo[b]thiophene

18. (4-(2-(piperidin-1-yl)ethoxy)phenyl)(6-methoxy-2-(4-methoxyphenyl)benzo[b]thiophen-3-yl)methanone

19. [6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]{4-[2-(piperidin-1-yl)ethoxy]phenyl}methanone

20. [6-methoxy-2-(4-methoxyphenyl)-benzo-[b]-thien-3-yl] [4-[2-(1-piperidinyl)ethoxy]phenyl] Methanone

21. [6-methoxy-2-(4-methoxyphenyl)benzo[b]thien-3-yl]-[4-[2-(1-piperidinyl)ethoxy]phenyl] Methanone

22. 6-methoxy-2-(4-methoxyphenyl)benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]-methanone; [6-methoxy-2-(4-methoxyphenyl)benzo[b]thien-3-yl][4-[2-(1-piperidinyl)ethoxy]phenyl]methanone

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₃₀H₃₁NO₄S
Molecular Weight	501.6 g/mol
XLogP3	6.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	76.2
Heavy Atom Count	36
Formal Charge	0
Complexity	684
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1