dimethyl 1-[(4-chlorophenyl)methyl]-4-(3-hydroxy-4-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 1-[(4-chlorophenyl)methyl]-4-(3-hydroxy-4-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
dimethyl 1-[(4-chlorophenyl)methyl]-4-(3-hydroxy-4-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | K837-0238 |
| Compound Name: | dimethyl 1-[(4-chlorophenyl)methyl]-4-(3-hydroxy-4-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 443.88 |
| Molecular Formula: | C23 H22 Cl N O6 |
| Smiles: | COC(C1=CN(Cc2ccc(cc2)[Cl])C=C(C1c1ccc(c(c1)O)OC)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5399 |
| logD: | 3.4949 |
| logSw: | -3.8539 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.455 |
| InChI Key: | XTIQYNKQHRWSQJ-UHFFFAOYSA-N |