diethyl 4-(5-bromo-2-methoxyphenyl)-1-[(4-chlorophenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
diethyl 4-(5-bromo-2-methoxyphenyl)-1-[(4-chlorophenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
diethyl 4-(5-bromo-2-methoxyphenyl)-1-[(4-chlorophenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | K837-0309 |
| Compound Name: | diethyl 4-(5-bromo-2-methoxyphenyl)-1-[(4-chlorophenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 534.83 |
| Molecular Formula: | C25 H25 Br Cl N O5 |
| Smiles: | CCOC(C1=CN(Cc2ccc(cc2)[Cl])C=C(C1c1cc(ccc1OC)[Br])C(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9701 |
| logD: | 5.9701 |
| logSw: | -6.1205 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.067 |
| InChI Key: | ZMLGUYLOPIQDFY-UHFFFAOYSA-N |