ethyl 6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
ethyl 6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 4155-0030 |
| Compound Name: | ethyl 6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate |
| Molecular Weight: | 402.43 |
| Molecular Formula: | C18 H18 N4 O5 S |
| Smiles: | CCOC(C1C(C(C#N)=C(NC=1C)SCC(N)=O)c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0042 |
| logD: | -0.9664 |
| logSw: | -2.7072 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 114.625 |
| InChI Key: | JXRWEAOAYNRAJV-INIZCTEOSA-N |