diethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-[(4-chlorophenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
diethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-[(4-chlorophenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
diethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-[(4-chlorophenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | K837-0445 |
| Compound Name: | diethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-[(4-chlorophenyl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 550.83 |
| Molecular Formula: | C25 H25 Br Cl N O6 |
| Smiles: | CCOC(C1=CN(Cc2ccc(cc2)[Cl])C=C(C1c1cc(c(c(c1)[Br])O)OC)C(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9939 |
| logD: | 4.9863 |
| logSw: | -4.804 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.546 |
| InChI Key: | TTXDKXMKMNYQLR-UHFFFAOYSA-N |