diethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-1-[(4-chlorophenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
diethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-1-[(4-chlorophenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
diethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-1-[(4-chlorophenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | K837-1097 |
| Compound Name: | diethyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-1-[(4-chlorophenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 548.82 |
| Molecular Formula: | C25 H23 Br Cl N O6 |
| Smiles: | CCOC(C1=CN(Cc2ccc(cc2)[Cl])C=C(C1c1cc2c(cc1[Br])OCO2)C(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4367 |
| logD: | 5.4367 |
| logSw: | -5.9043 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.552 |
| InChI Key: | JCKSAWNLNJXFJO-UHFFFAOYSA-N |