benzyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-[(2-oxo-2-phenylethyl)sulfanyl]-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
benzyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-[(2-oxo-2-phenylethyl)sulfanyl]-1,4-dihydropyridine-3-carboxylate
benzyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-[(2-oxo-2-phenylethyl)sulfanyl]-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 4296-0412 |
| Compound Name: | benzyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-[(2-oxo-2-phenylethyl)sulfanyl]-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 515.03 |
| Molecular Formula: | C29 H23 Cl N2 O3 S |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(c1ccccc1)=O)c1ccc(cc1)[Cl])C(=O)OCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9913 |
| logD: | 3.425 |
| logSw: | -6.3645 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.935 |
| InChI Key: | SAZSSKWASTYUMV-HHHXNRCGSA-N |