dimethyl 4-(4-chloro-3-nitrophenyl)-1-(propan-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 4-(4-chloro-3-nitrophenyl)-1-(propan-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
dimethyl 4-(4-chloro-3-nitrophenyl)-1-(propan-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | K837-0394 |
| Compound Name: | dimethyl 4-(4-chloro-3-nitrophenyl)-1-(propan-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 394.81 |
| Molecular Formula: | C18 H19 Cl N2 O6 |
| Smiles: | CC(C)N1C=C(C(C(=C1)C(=O)OC)c1ccc(c(c1)[N+]([O-])=O)[Cl])C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.8175 |
| logD: | 2.8175 |
| logSw: | -3.642 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.681 |
| InChI Key: | BEFFGFWHGZXFPW-UHFFFAOYSA-N |