benzyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
benzyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-1,4-dihydropyridine-3-carboxylate
benzyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 4296-0350 |
| Compound Name: | benzyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 544.07 |
| Molecular Formula: | C30 H26 Cl N3 O3 S |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(Nc1ccc(C)cc1)=O)c1ccc(cc1)[Cl])C(=O)OCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3925 |
| logD: | 3.679 |
| logSw: | -6.534 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.837 |
| InChI Key: | OWAYWKFTZFSFBT-MUUNZHRXSA-N |