methyl 4-(2-chlorophenyl)-5-cyano-6-{[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl}-2-methyl-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
methyl 4-(2-chlorophenyl)-5-cyano-6-{[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl}-2-methyl-1,4-dihydropyridine-3-carboxylate
methyl 4-(2-chlorophenyl)-5-cyano-6-{[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl}-2-methyl-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 4296-0529 |
| Compound Name: | methyl 4-(2-chlorophenyl)-5-cyano-6-{[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl}-2-methyl-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 483.97 |
| Molecular Formula: | C24 H22 Cl N3 O4 S |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(Nc1cccc(c1)OC)=O)c1ccccc1[Cl])C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7381 |
| logD: | 1.9305 |
| logSw: | -4.8737 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.697 |
| InChI Key: | CLPOFONOYNJWQY-JOCHJYFZSA-N |