dimethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-1-[(4-methoxyphenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-1-[(4-methoxyphenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
dimethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-1-[(4-methoxyphenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | K837-0972 |
| Compound Name: | dimethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-1-[(4-methoxyphenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 516.34 |
| Molecular Formula: | C24 H22 Br N O7 |
| Smiles: | COC(C1=CN(Cc2ccc(cc2)OC)C=C(C1c1cc2c(cc1[Br])OCO2)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9802 |
| logD: | 3.9802 |
| logSw: | -4.199 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.936 |
| InChI Key: | ACWOCSFNIXKJFG-UHFFFAOYSA-N |