dimethyl 1-[(4-methoxyphenyl)methyl]-4-(thiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 1-[(4-methoxyphenyl)methyl]-4-(thiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
dimethyl 1-[(4-methoxyphenyl)methyl]-4-(thiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | K813-0031 |
| Compound Name: | dimethyl 1-[(4-methoxyphenyl)methyl]-4-(thiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 399.46 |
| Molecular Formula: | C21 H21 N O5 S |
| Smiles: | COC(C1=CN(Cc2ccc(cc2)OC)C=C(C1c1cccs1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2226 |
| logD: | 3.2226 |
| logSw: | -3.3093 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.839 |
| InChI Key: | RAERZXDPSRTSKL-UHFFFAOYSA-N |