CAS 35824-91-0

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Chemistry

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Also known as: 35824-91-0, 1,3-dicyclohexyl-1,3-diazinane-2,4,6-trione, 1,3-dicyclohexylpyrimidine-2,4,6(1h,3h,5h)-trione, Brn 0893954, Barbituric acid, 1,3-dicyclohexyl-, Mfcd01216967

Molecular Formula

C₁₆H₂₄N₂O₃

Molecular Weight

292.37 g/mol

InChI Key

PRZQJMWBZWAUKW-UHFFFAOYSA-N

1 2D Structure

CAS 35824-91-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1,3-dicyclohexyl-1,3-diazinane-2,4,6-trione

2.1.2 InChI

InChI=1S/C16H24N2O3/c19-14-11-15(20)18(13-9-5-2-6-10-13)16(21)17(14)12-7-3-1-4-8-12/h12-13H,1-11H2

2.1.3 InChI Key

PRZQJMWBZWAUKW-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CCC(CC1)N2C(=O)CC(=O)N(C2=O)C3CCCCC3

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 35824-91-0

2. 1,3-dicyclohexyl-1,3-diazinane-2,4,6-trione

3. 1,3-dicyclohexylpyrimidine-2,4,6(1h,3h,5h)-trione

4. Brn 0893954

5. Barbituric Acid, 1,3-dicyclohexyl-

6. Mfcd01216967

7. 1,3-dicyclohexyl-2,4,6(1h,3h,5h)-pyrimidinetrione

8. 5-24-09-00094 (beilstein Handbook Reference)

9. Lczc2833

10. Schembl3422430

11. Chembl1766835

12. Dtxsid30957235

13. Akos005228461

14. As-60573

15. Ls-24136

16. Sy053752

17. Cs-0451621

18. D2815

19. N16905

20. J-503898

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₂₄N₂O₃
Molecular Weight	292.37 g/mol
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	57.7
Heavy Atom Count	21
Formal Charge	0
Complexity	399
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