dimethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-(propan-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-(propan-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
dimethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-(propan-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | K837-1328 |
| Compound Name: | dimethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-(propan-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 440.29 |
| Molecular Formula: | C19 H22 Br N O6 |
| Smiles: | CC(C)N1C=C(C(C(=C1)C(=O)OC)c1cc(c(c(c1)[Br])O)OC)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.5677 |
| logD: | 2.5601 |
| logSw: | -2.3701 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.71 |
| InChI Key: | OMNVMBBAPYFRPF-UHFFFAOYSA-N |