6-[(2-chlorophenyl)methylsulfanyl]-5-cyano-2-methyl-N,4-diphenyl-1,4-dihydropyridine-3-carboxamide
Basic information
- CAS
6927-10-2- Standard SMILES
CC1=C(C(=O)Nc2ccccc2)C(c2ccccc2)C(C#N)=C(SCc2ccccc2Cl)N1- InChIKey
HXTADZDVRPNYRV-UHFFFAOYSA-N- Molecular formula
- C27H22ClN3OS
- Average molar mass
- 472 g/mol
- Monoisotopic mass
- 471.1172112
Names & identifiers
- Preferred name
- 6-[(2-chlorophenyl)methylsulfanyl]-5-cyano-2-methyl-N,4-diphenyl-1,4-dihydropyridine-3-carboxamide
- IUPAC
- 6-[(2-chlorophenyl)methylsulfanyl]-5-cyano-2-methyl-N,4-diphenyl-1,4-dihydropyridine-3-carboxamide
Names & synonyms
6927-10-26-[(2-chlorophenyl)methylsulfanyl]-5-cyano-2-methyl-N,4-diphenyl-1,4-dihydropyridine-3-carboxamideOprea1_806315DTXSID20411699AKOS003677914ST51061858{6-[(2-chlorophenyl)methylthio]-5-cyano-2-methyl-4-phenyl(3-1,4-dihydropyridyl )}-N-benzamide6-{[(2-Chlorophenyl)methyl]sulfanyl}-5-cyano-2-methyl-N,4-diphenyl-1,4-dihydropyridine-3-carboxamide
Database identifiers
- CAS
6927-10-2- PubChem CID
- 5229726
- DTXSID
DTXSID20411699
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 90.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 816
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…