dimethyl 4-(3-bromo-4-ethoxy-5-methoxyphenyl)-1-(propan-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 4-(3-bromo-4-ethoxy-5-methoxyphenyl)-1-(propan-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
dimethyl 4-(3-bromo-4-ethoxy-5-methoxyphenyl)-1-(propan-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | K837-0277 |
| Compound Name: | dimethyl 4-(3-bromo-4-ethoxy-5-methoxyphenyl)-1-(propan-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 468.34 |
| Molecular Formula: | C21 H26 Br N O6 |
| Smiles: | CCOc1c(cc(cc1[Br])C1C(=CN(C=C1C(=O)OC)C(C)C)C(=O)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 3.5859 |
| logD: | 3.5859 |
| logSw: | -3.5891 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.528 |
| InChI Key: | PXUIUVBRKCIUFA-UHFFFAOYSA-N |