dimethyl 4-(5-bromo-2-methoxyphenyl)-1-methyl-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 4-(5-bromo-2-methoxyphenyl)-1-methyl-1,4-dihydropyridine-3,5-dicarboxylate
dimethyl 4-(5-bromo-2-methoxyphenyl)-1-methyl-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | K813-0259 |
| Compound Name: | dimethyl 4-(5-bromo-2-methoxyphenyl)-1-methyl-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 396.24 |
| Molecular Formula: | C17 H18 Br N O5 |
| Smiles: | CN1C=C(C(C(=C1)C(=O)OC)c1cc(ccc1OC)[Br])C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.9143 |
| logD: | 2.9143 |
| logSw: | -3.2187 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.843 |
| InChI Key: | HWMMBYZYPCCNDS-UHFFFAOYSA-N |