ethyl 6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-2-phenyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-2-phenyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
ethyl 6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-2-phenyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | D360-2420 |
| Compound Name: | ethyl 6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-2-phenyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 425.53 |
| Molecular Formula: | C21 H19 N3 O3 S2 |
| Smiles: | CCOC(C1C(C(C#N)=C(NC=1c1ccccc1)SCC(N)=O)c1cccs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1338 |
| logD: | -1.5252 |
| logSw: | -3.2413 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.492 |
| InChI Key: | KWPLAWNDJOVBJU-KRWDZBQOSA-N |