ethyl 6-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-4-(2-methylpropyl)-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 6-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-4-(2-methylpropyl)-1,4-dihydropyridine-3-carboxylate
ethyl 6-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-4-(2-methylpropyl)-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 4296-0106 |
| Compound Name: | ethyl 6-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-4-(2-methylpropyl)-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 432.97 |
| Molecular Formula: | C22 H25 Cl N2 O3 S |
| Smiles: | CCOC(C1C(CC(C)C)C(C#N)=C(NC=1C)SCC(c1ccc(cc1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9373 |
| logD: | 1.8755 |
| logSw: | -5.0242 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.103 |
| InChI Key: | KAXAEXCEEATYFA-KRWDZBQOSA-N |