dimethyl 4-(5-bromo-2-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 4-(5-bromo-2-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
dimethyl 4-(5-bromo-2-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | K813-0023 |
| Compound Name: | dimethyl 4-(5-bromo-2-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 382.21 |
| Molecular Formula: | C16 H16 Br N O5 |
| Smiles: | COC(C1=CNC=C(C1c1cc(ccc1OC)[Br])C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2128 |
| logD: | 2.6635 |
| logSw: | -3.3333 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.086 |
| InChI Key: | ZXWBCNVDSFUMDK-UHFFFAOYSA-N |