dimethyl 1-[(3,4-dimethoxyphenyl)methyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 1-[(3,4-dimethoxyphenyl)methyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
dimethyl 1-[(3,4-dimethoxyphenyl)methyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | K837-0010 |
| Compound Name: | dimethyl 1-[(3,4-dimethoxyphenyl)methyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 468.46 |
| Molecular Formula: | C24 H24 N2 O8 |
| Smiles: | COC(C1=CN(Cc2ccc(c(c2)OC)OC)C=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9822 |
| logD: | 2.9822 |
| logSw: | -3.1933 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 93.919 |
| InChI Key: | CMCDXAXGWHHGOY-UHFFFAOYSA-N |