ethyl 6-{[2-(4-butylanilino)-2-oxoethyl]sulfanyl}-4-(2-chlorophenyl)-5-cyano-2-phenyl-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 6-{[2-(4-butylanilino)-2-oxoethyl]sulfanyl}-4-(2-chlorophenyl)-5-cyano-2-phenyl-1,4-dihydropyridine-3-carboxylate
ethyl 6-{[2-(4-butylanilino)-2-oxoethyl]sulfanyl}-4-(2-chlorophenyl)-5-cyano-2-phenyl-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | C212-0074 |
| Compound Name: | ethyl 6-{[2-(4-butylanilino)-2-oxoethyl]sulfanyl}-4-(2-chlorophenyl)-5-cyano-2-phenyl-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 586.15 |
| Molecular Formula: | C33 H32 Cl N3 O3 S |
| Smiles: | CCCCc1ccc(cc1)NC(CSC1=C(C#N)C(C(=C(c2ccccc2)N1)C(=O)OCC)c1ccccc1[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 8.3705 |
| logD: | 4.0271 |
| logSw: | -6.4356 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.963 |
| InChI Key: | VYWATVMDMVWKPO-GDLZYMKVSA-N |