1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(4-chloro-2-methoxyphenyl)-2-(3-methoxy-5-methylsulfonylanilino)-1-[5-(trifluoromethoxy)-1H-indol-3-yl]ethanone

2.1.2 InChI

InChI=1S/C26H22ClF3N2O6S/c1-36-17-9-15(10-18(11-17)39(3,34)35)32-24(19-6-4-14(27)8-23(19)37-2)25(33)21-13-31-22-7-5-16(12-20(21)22)38-26(28,29)30/h4-13,24,31-32H,1-3H3

2.1.3 InChI Key

QNOPDDHSGQQLCV-UHFFFAOYSA-N

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Jnj-1802

2.2.2 Depositor-Supplied Synonyms

1. Jnj-1802

2. 2043343-94-6

3. (-)-mosnodenvir

4. Chembl3914294

5. Schembl18239600

6. Qnopddhsgqqlcv-uhfffaoysa-n

7. Glxc-27292

8. Ex-a7777

9. At42833

10. Jnj-64281802

11. Hy-153810

12. Cs-0864783

13. (+)-2-(4-chloro-2-methoxyphenyl)-2-((3-methoxy-5-(methylsulfonyl)phenyl)amino)-1-(5-(trifluoromethoxy)-1h-indol-3-yl)ethan-1-one

14. 2-(4-chloro-2-methoxyphenyl)-2-(3-methoxy-5-methylsulfonylanilino)-1-[5-(trifluoromethoxy)-1h-indol-3-yl]ethanone

15. 2043343-95-7

2.3 Create Date

2016-12-08

3 Chemical and Physical Properties

Molecular Formula	C₂₆H₂₂ClF₃N₂O₆S
Molecular Weight	583.0 g/mol
XLogP3	6.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	9
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	115
Heavy Atom Count	39
Formal Charge	0
Complexity	951
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

Mosnodenvir

Mosnodenvir

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