ethyl 6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-4-(3-nitrophenyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-4-(3-nitrophenyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
ethyl 6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-4-(3-nitrophenyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | D360-2220 |
| Compound Name: | ethyl 6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-4-(3-nitrophenyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 464.5 |
| Molecular Formula: | C23 H20 N4 O5 S |
| Smiles: | CCOC(C1C(C(C#N)=C(NC=1c1ccccc1)SCC(N)=O)c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2932 |
| logD: | -1.2134 |
| logSw: | -3.5769 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 114.855 |
| InChI Key: | UKYJFUDLRUNBDN-IBGZPJMESA-N |