methyl {[3-cyano-4-(3-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[3-cyano-4-(3-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
methyl {[3-cyano-4-(3-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 8010-1191 |
| Compound Name: | methyl {[3-cyano-4-(3-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 320.34 |
| Molecular Formula: | C15 H13 F N2 O3 S |
| Smiles: | COC(CSC1=C(C#N)C(CC(N1)=O)c1cccc(c1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.646 |
| logD: | 1.5905 |
| logSw: | -2.4848 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.766 |
| InChI Key: | ZOEJAKMUJXCLRG-LLVKDONJSA-N |