dimethyl 4-(4-chloro-3-nitrophenyl)-1-[(oxolan-2-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 4-(4-chloro-3-nitrophenyl)-1-[(oxolan-2-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
dimethyl 4-(4-chloro-3-nitrophenyl)-1-[(oxolan-2-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | 8012-1345 |
| Compound Name: | dimethyl 4-(4-chloro-3-nitrophenyl)-1-[(oxolan-2-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 436.85 |
| Molecular Formula: | C20 H21 Cl N2 O7 |
| Smiles: | COC(C1=CN(CC2CCCO2)C=C(C1c1ccc(c(c1)[N+]([O-])=O)[Cl])C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.388 |
| logD: | 2.388 |
| logSw: | -3.2431 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 87.012 |
| InChI Key: | ZYOCOCMGYIDYGB-CYBMUJFWSA-N |