dimethyl 1-[(4-methoxyphenyl)methyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 1-[(4-methoxyphenyl)methyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
dimethyl 1-[(4-methoxyphenyl)methyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | K837-0166 |
| Compound Name: | dimethyl 1-[(4-methoxyphenyl)methyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 438.44 |
| Molecular Formula: | C23 H22 N2 O7 |
| Smiles: | COC(C1=CN(Cc2ccc(cc2)OC)C=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3915 |
| logD: | 3.3915 |
| logSw: | -3.6887 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 86.202 |
| InChI Key: | PBCKZUNMSRBXEB-UHFFFAOYSA-N |