dimethyl 4-(4-chloro-3-fluorophenyl)-1-[(thiophen-2-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 4-(4-chloro-3-fluorophenyl)-1-[(thiophen-2-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
dimethyl 4-(4-chloro-3-fluorophenyl)-1-[(thiophen-2-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | K813-0105 |
| Compound Name: | dimethyl 4-(4-chloro-3-fluorophenyl)-1-[(thiophen-2-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 421.87 |
| Molecular Formula: | C20 H17 Cl F N O4 S |
| Smiles: | COC(C1=CN(Cc2cccs2)C=C(C1c1ccc(c(c1)F)[Cl])C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.138 |
| logD: | 4.138 |
| logSw: | -4.5454 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.295 |
| InChI Key: | AAMMACMGYNCIHF-UHFFFAOYSA-N |