methyl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
methyl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-1,4-dihydropyridine-3-carboxylate
methyl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 4296-0376 |
| Compound Name: | methyl 4-(2-chlorophenyl)-5-cyano-2-methyl-6-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 467.97 |
| Molecular Formula: | C24 H22 Cl N3 O3 S |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(Nc1ccc(C)cc1)=O)c1ccccc1[Cl])C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0951 |
| logD: | 2.2875 |
| logSw: | -5.3266 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.154 |
| InChI Key: | RDOOROSDPKMLEU-JOCHJYFZSA-N |