2-{[7-(3,4-dimethylphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-(4-fluorophenyl)butanamide
Chemical Structure Depiction of
2-{[7-(3,4-dimethylphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-(4-fluorophenyl)butanamide
2-{[7-(3,4-dimethylphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-(4-fluorophenyl)butanamide
Compound characteristics
| Compound ID: | G802-0666 |
| Compound Name: | 2-{[7-(3,4-dimethylphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}-N-(4-fluorophenyl)butanamide |
| Molecular Weight: | 451.52 |
| Molecular Formula: | C23 H22 F N5 O2 S |
| Smiles: | CCC(C(Nc1ccc(cc1)F)=O)Sc1nnc2C(N(C=Cn12)c1ccc(C)c(C)c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8617 |
| logD: | 3.8615 |
| logSw: | -3.8909 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.065 |
| InChI Key: | DBOMZWFYKZOSFT-IBGZPJMESA-N |