methyl 6-{[2-(4-acetylanilino)-2-oxoethyl]sulfanyl}-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
methyl 6-{[2-(4-acetylanilino)-2-oxoethyl]sulfanyl}-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
methyl 6-{[2-(4-acetylanilino)-2-oxoethyl]sulfanyl}-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 4296-0343 |
| Compound Name: | methyl 6-{[2-(4-acetylanilino)-2-oxoethyl]sulfanyl}-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 495.98 |
| Molecular Formula: | C25 H22 Cl N3 O4 S |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(Nc1ccc(cc1)C(C)=O)=O)c1ccccc1[Cl])C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2138 |
| logD: | 1.4062 |
| logSw: | -4.3853 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.98 |
| InChI Key: | AQKHVSBPPCAXAN-HSZRJFAPSA-N |