5-acetyl-2-(ethylsulfanyl)-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile
Chemical Structure Depiction of
5-acetyl-2-(ethylsulfanyl)-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile
5-acetyl-2-(ethylsulfanyl)-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8010-0359 |
| Compound Name: | 5-acetyl-2-(ethylsulfanyl)-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile |
| Molecular Weight: | 343.4 |
| Molecular Formula: | C17 H17 N3 O3 S |
| Smiles: | [H][C@@]1(C(C#N)=C(NC(C)=C1C(C)=O)SCC)c1ccccc1[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0928 |
| logD: | 0.8489 |
| logSw: | -3.4676 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.009 |
| InChI Key: | LSGNHGSWYHIKEA-INIZCTEOSA-N |