ethyl 5-cyano-6-[(3-cyanopropyl)sulfanyl]-4-(3-nitrophenyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 5-cyano-6-[(3-cyanopropyl)sulfanyl]-4-(3-nitrophenyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
ethyl 5-cyano-6-[(3-cyanopropyl)sulfanyl]-4-(3-nitrophenyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | D360-2229 |
| Compound Name: | ethyl 5-cyano-6-[(3-cyanopropyl)sulfanyl]-4-(3-nitrophenyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 474.54 |
| Molecular Formula: | C25 H22 N4 O4 S |
| Smiles: | CCOC(C1C(C(C#N)=C(NC=1c1ccccc1)SCCCC#N)c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0729 |
| logD: | -0.4492 |
| logSw: | -4.0361 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.959 |
| InChI Key: | ABLFAOAYABABQW-NRFANRHFSA-N |