2-{[5-(1,3-benzothiazol-2-yl)-4-(2-chlorophenyl)-3-cyano-6-phenyl-1,4-dihydropyridin-2-yl]sulfanyl}-N-phenylacetamide
Chemical Structure Depiction of
2-{[5-(1,3-benzothiazol-2-yl)-4-(2-chlorophenyl)-3-cyano-6-phenyl-1,4-dihydropyridin-2-yl]sulfanyl}-N-phenylacetamide
2-{[5-(1,3-benzothiazol-2-yl)-4-(2-chlorophenyl)-3-cyano-6-phenyl-1,4-dihydropyridin-2-yl]sulfanyl}-N-phenylacetamide
Compound characteristics
| Compound ID: | 4296-0195 |
| Compound Name: | 2-{[5-(1,3-benzothiazol-2-yl)-4-(2-chlorophenyl)-3-cyano-6-phenyl-1,4-dihydropyridin-2-yl]sulfanyl}-N-phenylacetamide |
| Molecular Weight: | 591.15 |
| Molecular Formula: | C33 H23 Cl N4 O S2 |
| Smiles: | C(C(Nc1ccccc1)=O)SC1=C(C#N)C(C(=C(c2ccccc2)N1)c1nc2ccccc2s1)c1ccccc1[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 8.0327 |
| logD: | 7.795 |
| logSw: | -6.5199 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.658 |
| InChI Key: | IPTJZYPBXANFQR-GDLZYMKVSA-N |