dimethyl 4-(4-chloro-3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 4-(4-chloro-3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
dimethyl 4-(4-chloro-3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | 8011-0587 |
| Compound Name: | dimethyl 4-(4-chloro-3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 352.73 |
| Molecular Formula: | C15 H13 Cl N2 O6 |
| Smiles: | COC(C1=CNC=C(C1c1ccc(c(c1)[N+]([O-])=O)[Cl])C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4865 |
| logD: | 1.9372 |
| logSw: | -3.5613 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.536 |
| InChI Key: | SMJXTSSZQLSHBL-UHFFFAOYSA-N |