benzyl {[3-cyano-4-(4-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
benzyl {[3-cyano-4-(4-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
benzyl {[3-cyano-4-(4-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 2699-0424 |
| Compound Name: | benzyl {[3-cyano-4-(4-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 396.44 |
| Molecular Formula: | C21 H17 F N2 O3 S |
| Smiles: | C1C(C(C#N)=C(NC1=O)SCC(=O)OCc1ccccc1)c1ccc(cc1)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4129 |
| logD: | 3.3574 |
| logSw: | -3.7167 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.45 |
| InChI Key: | GTHKWNGXZFGQSP-QGZVFWFLSA-N |