6-{[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(furan-2-yl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
Chemical Structure Depiction of
6-{[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(furan-2-yl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
6-{[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(furan-2-yl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
Compound characteristics
| Compound ID: | 8011-7208 |
| Compound Name: | 6-{[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl}-5-cyano-4-(furan-2-yl)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide |
| Molecular Weight: | 519.02 |
| Molecular Formula: | C27 H23 Cl N4 O3 S |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(Nc1cccc(c1C)[Cl])=O)c1ccco1)C(Nc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8129 |
| logD: | 3.9719 |
| logSw: | -4.794 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.951 |
| InChI Key: | YABLYXKHDUXDFP-RUZDIDTESA-N |