dimethyl 4-(3-bromo-4,5-dimethoxyphenyl)-1-[(oxolan-2-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 4-(3-bromo-4,5-dimethoxyphenyl)-1-[(oxolan-2-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
dimethyl 4-(3-bromo-4,5-dimethoxyphenyl)-1-[(oxolan-2-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | 5198-8085 |
| Compound Name: | dimethyl 4-(3-bromo-4,5-dimethoxyphenyl)-1-[(oxolan-2-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 496.35 |
| Molecular Formula: | C22 H26 Br N O7 |
| Smiles: | COC(C1=CN(CC2CCCO2)C=C(C1c1cc(c(c(c1)[Br])OC)OC)C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7257 |
| logD: | 2.7257 |
| logSw: | -2.9258 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.279 |
| InChI Key: | ZZHGIQLRYOLRBU-CQSZACIVSA-N |