2-{[3-cyano-4-(2-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-[2-(4-methoxyphenyl)ethyl]acetamide
Chemical Structure Depiction of
2-{[3-cyano-4-(2-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-[2-(4-methoxyphenyl)ethyl]acetamide
2-{[3-cyano-4-(2-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-[2-(4-methoxyphenyl)ethyl]acetamide
Compound characteristics
| Compound ID: | 5542-0226 |
| Compound Name: | 2-{[3-cyano-4-(2-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-[2-(4-methoxyphenyl)ethyl]acetamide |
| Molecular Weight: | 439.51 |
| Molecular Formula: | C23 H22 F N3 O3 S |
| Smiles: | COc1ccc(CCNC(CSC2=C(C#N)C(CC(N2)=O)c2ccccc2F)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.55 |
| logD: | 2.5112 |
| logSw: | -2.8829 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.772 |
| InChI Key: | OXAMCWVGUYSUNR-GOSISDBHSA-N |