benzyl 4-(4-chlorophenyl)-5-cyano-6-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-2-methyl-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
benzyl 4-(4-chlorophenyl)-5-cyano-6-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-2-methyl-1,4-dihydropyridine-3-carboxylate
benzyl 4-(4-chlorophenyl)-5-cyano-6-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-2-methyl-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 4296-0341 |
| Compound Name: | benzyl 4-(4-chlorophenyl)-5-cyano-6-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-2-methyl-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 560.07 |
| Molecular Formula: | C30 H26 Cl N3 O4 S |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(Nc1ccc(cc1)OC)=O)c1ccc(cc1)[Cl])C(=O)OCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9515 |
| logD: | 3.238 |
| logSw: | -6.4286 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.381 |
| InChI Key: | NVXFCDZSZYUWIQ-MUUNZHRXSA-N |