dimethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-cyclopropyl-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-cyclopropyl-1,4-dihydropyridine-3,5-dicarboxylate
dimethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-cyclopropyl-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | 4323-7181 |
| Compound Name: | dimethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-cyclopropyl-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 438.27 |
| Molecular Formula: | C19 H20 Br N O6 |
| Smiles: | COC(C1=CN(C=C(C1c1cc(c(c(c1)[Br])O)OC)C(=O)OC)C1CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5158 |
| logD: | 2.5082 |
| logSw: | -2.2106 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.27 |
| InChI Key: | OBUWLMYTMFQLSM-UHFFFAOYSA-N |