dimethyl 1-[(4-chlorophenyl)methyl]-4-(thiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 1-[(4-chlorophenyl)methyl]-4-(thiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
dimethyl 1-[(4-chlorophenyl)methyl]-4-(thiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | K813-0107 |
| Compound Name: | dimethyl 1-[(4-chlorophenyl)methyl]-4-(thiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 403.88 |
| Molecular Formula: | C20 H18 Cl N O4 S |
| Smiles: | COC(C1=CN(Cc2ccc(cc2)[Cl])C=C(C1c1cccs1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.835 |
| logD: | 3.835 |
| logSw: | -4.4277 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.295 |
| InChI Key: | NLUVSBGJNQKSTO-UHFFFAOYSA-N |