ethyl 6-[(2-amino-2-oxoethyl)sulfanyl]-4-(2-chloro-6-fluorophenyl)-5-cyano-2-phenyl-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 6-[(2-amino-2-oxoethyl)sulfanyl]-4-(2-chloro-6-fluorophenyl)-5-cyano-2-phenyl-1,4-dihydropyridine-3-carboxylate
ethyl 6-[(2-amino-2-oxoethyl)sulfanyl]-4-(2-chloro-6-fluorophenyl)-5-cyano-2-phenyl-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | D360-2246 |
| Compound Name: | ethyl 6-[(2-amino-2-oxoethyl)sulfanyl]-4-(2-chloro-6-fluorophenyl)-5-cyano-2-phenyl-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 471.94 |
| Molecular Formula: | C23 H19 Cl F N3 O3 S |
| Smiles: | CCOC(C1C(C(C#N)=C(NC=1c1ccccc1)SCC(N)=O)c1c(cccc1[Cl])F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8871 |
| logD: | -0.2931 |
| logSw: | -4.3144 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.473 |
| InChI Key: | ZNAWDRMADVBZRO-GOSISDBHSA-N |