methyl 4-(2-chlorophenyl)-5-cyano-6-{[2-(2-ethylanilino)-2-oxoethyl]sulfanyl}-2-methyl-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
methyl 4-(2-chlorophenyl)-5-cyano-6-{[2-(2-ethylanilino)-2-oxoethyl]sulfanyl}-2-methyl-1,4-dihydropyridine-3-carboxylate
methyl 4-(2-chlorophenyl)-5-cyano-6-{[2-(2-ethylanilino)-2-oxoethyl]sulfanyl}-2-methyl-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 4296-0784 |
| Compound Name: | methyl 4-(2-chlorophenyl)-5-cyano-6-{[2-(2-ethylanilino)-2-oxoethyl]sulfanyl}-2-methyl-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 482 |
| Molecular Formula: | C25 H24 Cl N3 O3 S |
| Smiles: | CCc1ccccc1NC(CSC1=C(C#N)C(C(=C(C)N1)C(=O)OC)c1ccccc1[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1713 |
| logD: | 2.3636 |
| logSw: | -5.5282 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.456 |
| InChI Key: | OKIXVFCFOUMQTE-HSZRJFAPSA-N |