dimethyl 4-(3-bromo-4,5-diethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 4-(3-bromo-4,5-diethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
dimethyl 4-(3-bromo-4,5-diethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | 4737-7375 |
| Compound Name: | dimethyl 4-(3-bromo-4,5-diethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 440.29 |
| Molecular Formula: | C19 H22 Br N O6 |
| Smiles: | CCOc1cc(cc(c1OCC)[Br])C1C(=CNC=C1C(=O)OC)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.5299 |
| logD: | 2.9806 |
| logSw: | -3.5161 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.962 |
| InChI Key: | KYFAMQLKNNKOEX-UHFFFAOYSA-N |