dimethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-1-[(4-methoxyphenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-1-[(4-methoxyphenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
dimethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-1-[(4-methoxyphenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | K837-0086 |
| Compound Name: | dimethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-1-[(4-methoxyphenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 532.39 |
| Molecular Formula: | C25 H26 Br N O7 |
| Smiles: | CCOc1cc(cc(c1O)[Br])C1C(=CN(Cc2ccc(cc2)OC)C=C1C(=O)OC)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.243 |
| logD: | 4.239 |
| logSw: | -4.136 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.51 |
| InChI Key: | AFIDCNOAJDTWCG-UHFFFAOYSA-N |