dimethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
dimethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | K837-0443 |
| Compound Name: | dimethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 562.41 |
| Molecular Formula: | C26 H28 Br N O8 |
| Smiles: | CCOc1cc(cc(c1O)[Br])C1C(=CN(Cc2ccc(c(c2)OC)OC)C=C1C(=O)OC)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.8336 |
| logD: | 3.8296 |
| logSw: | -3.8457 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.227 |
| InChI Key: | MXLREZVAUHRTMM-UHFFFAOYSA-N |