diethyl 1-[(4-fluorophenyl)methyl]-4-[4-(methylsulfanyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
diethyl 1-[(4-fluorophenyl)methyl]-4-[4-(methylsulfanyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
diethyl 1-[(4-fluorophenyl)methyl]-4-[4-(methylsulfanyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | K837-0786 |
| Compound Name: | diethyl 1-[(4-fluorophenyl)methyl]-4-[4-(methylsulfanyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 455.55 |
| Molecular Formula: | C25 H26 F N O4 S |
| Smiles: | CCOC(C1=CN(Cc2ccc(cc2)F)C=C(C1c1ccc(cc1)SC)C(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1371 |
| logD: | 5.1371 |
| logSw: | -5.0199 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 44.436 |
| InChI Key: | YKDUVEFPQHABMC-UHFFFAOYSA-N |