diethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-(propan-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
diethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-(propan-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
diethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-(propan-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | K837-0463 |
| Compound Name: | diethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-(propan-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 468.34 |
| Molecular Formula: | C21 H26 Br N O6 |
| Smiles: | CCOC(C1=CN(C=C(C1c1cc(c(c(c1)[Br])O)OC)C(=O)OCC)C(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4118 |
| logD: | 3.4042 |
| logSw: | -3.4247 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.869 |
| InChI Key: | CTZULXBCVHFHHJ-UHFFFAOYSA-N |