methyl 4-(2-chlorophenyl)-5-cyano-6-{[2-(4-ethylanilino)-2-oxoethyl]sulfanyl}-2-methyl-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
methyl 4-(2-chlorophenyl)-5-cyano-6-{[2-(4-ethylanilino)-2-oxoethyl]sulfanyl}-2-methyl-1,4-dihydropyridine-3-carboxylate
methyl 4-(2-chlorophenyl)-5-cyano-6-{[2-(4-ethylanilino)-2-oxoethyl]sulfanyl}-2-methyl-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 4296-0299 |
| Compound Name: | methyl 4-(2-chlorophenyl)-5-cyano-6-{[2-(4-ethylanilino)-2-oxoethyl]sulfanyl}-2-methyl-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 482 |
| Molecular Formula: | C25 H24 Cl N3 O3 S |
| Smiles: | CCc1ccc(cc1)NC(CSC1=C(C#N)C(C(=C(C)N1)C(=O)OC)c1ccccc1[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6024 |
| logD: | 2.7947 |
| logSw: | -5.8294 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.154 |
| InChI Key: | BJXJMCMHQUNFLW-HSZRJFAPSA-N |