N-(2,5-dimethylphenyl)-2-{[7-(3-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}butanamide
Chemical Structure Depiction of
N-(2,5-dimethylphenyl)-2-{[7-(3-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}butanamide
N-(2,5-dimethylphenyl)-2-{[7-(3-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}butanamide
Compound characteristics
| Compound ID: | G802-0069 |
| Compound Name: | N-(2,5-dimethylphenyl)-2-{[7-(3-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}butanamide |
| Molecular Weight: | 451.52 |
| Molecular Formula: | C23 H22 F N5 O2 S |
| Smiles: | CCC(C(Nc1cc(C)ccc1C)=O)Sc1nnc2C(N(C=Cn12)c1cccc(c1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1154 |
| logD: | 3.1154 |
| logSw: | -3.0494 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.367 |
| InChI Key: | QOMOELDAAQNXDA-IBGZPJMESA-N |