dimethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-1-(propan-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-1-(propan-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
dimethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-1-(propan-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | K837-0520 |
| Compound Name: | dimethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-1-(propan-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 454.32 |
| Molecular Formula: | C20 H24 Br N O6 |
| Smiles: | CCOc1cc(cc(c1O)[Br])C1C(=CN(C=C1C(=O)OC)C(C)C)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.2732 |
| logD: | 3.2692 |
| logSw: | -3.3026 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.29 |
| InChI Key: | ADVPYLCCQOZQBE-UHFFFAOYSA-N |