dimethyl 4-(3-bromo-4-methoxyphenyl)-1-[(4-chlorophenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 4-(3-bromo-4-methoxyphenyl)-1-[(4-chlorophenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
dimethyl 4-(3-bromo-4-methoxyphenyl)-1-[(4-chlorophenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | K837-0528 |
| Compound Name: | dimethyl 4-(3-bromo-4-methoxyphenyl)-1-[(4-chlorophenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 506.78 |
| Molecular Formula: | C23 H21 Br Cl N O5 |
| Smiles: | COC(C1=CN(Cc2ccc(cc2)[Cl])C=C(C1c1ccc(c(c1)[Br])OC)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5505 |
| logD: | 4.5505 |
| logSw: | -4.937 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.907 |
| InChI Key: | LYPNIBWQFLCLIA-UHFFFAOYSA-N |