2-{[7-(4-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-(2-methylphenyl)butanamide
Chemical Structure Depiction of
2-{[7-(4-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-(2-methylphenyl)butanamide
2-{[7-(4-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-(2-methylphenyl)butanamide
Compound characteristics
| Compound ID: | G802-0487 |
| Compound Name: | 2-{[7-(4-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-(2-methylphenyl)butanamide |
| Molecular Weight: | 437.49 |
| Molecular Formula: | C22 H20 F N5 O2 S |
| Smiles: | CCC(C(Nc1ccccc1C)=O)Sc1nnc2C(N(C=Cn12)c1ccc(cc1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8075 |
| logD: | 2.8075 |
| logSw: | -3.1856 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.367 |
| InChI Key: | NDACQJOILPQAOT-SFHVURJKSA-N |