5-cyano-2-methyl-6-({2-oxo-2-[4-(propan-2-yl)anilino]ethyl}sulfanyl)-N,4-diphenyl-1,4-dihydropyridine-3-carboxamide
Chemical Structure Depiction of
5-cyano-2-methyl-6-({2-oxo-2-[4-(propan-2-yl)anilino]ethyl}sulfanyl)-N,4-diphenyl-1,4-dihydropyridine-3-carboxamide
5-cyano-2-methyl-6-({2-oxo-2-[4-(propan-2-yl)anilino]ethyl}sulfanyl)-N,4-diphenyl-1,4-dihydropyridine-3-carboxamide
Compound characteristics
| Compound ID: | IB01-5879 |
| Compound Name: | 5-cyano-2-methyl-6-({2-oxo-2-[4-(propan-2-yl)anilino]ethyl}sulfanyl)-N,4-diphenyl-1,4-dihydropyridine-3-carboxamide |
| Molecular Weight: | 522.67 |
| Molecular Formula: | C31 H30 N4 O2 S |
| Smiles: | CC(C)c1ccc(cc1)NC(CSC1=C(C#N)C(C(=C(C)N1)C(Nc1ccccc1)=O)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.07 |
| logD: | 5.35 |
| logSw: | -6.56 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 164.16 |
| InChI Key: | KAJQCVABNXCZDV-LJAQVGFWSA-N |