benzyl 6-[(2-anilino-2-oxoethyl)sulfanyl]-4-(4-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
benzyl 6-[(2-anilino-2-oxoethyl)sulfanyl]-4-(4-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
benzyl 6-[(2-anilino-2-oxoethyl)sulfanyl]-4-(4-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 4296-0326 |
| Compound Name: | benzyl 6-[(2-anilino-2-oxoethyl)sulfanyl]-4-(4-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 530.04 |
| Molecular Formula: | C29 H24 Cl N3 O3 S |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(Nc1ccccc1)=O)c1ccc(cc1)[Cl])C(=O)OCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7774 |
| logD: | 3.0639 |
| logSw: | -6.347 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.837 |
| InChI Key: | KEYCCIZEWHTWRU-HHHXNRCGSA-N |