N-(4-fluorophenyl)-2-{[7-(4-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}butanamide
Chemical Structure Depiction of
N-(4-fluorophenyl)-2-{[7-(4-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}butanamide
N-(4-fluorophenyl)-2-{[7-(4-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}butanamide
Compound characteristics
| Compound ID: | G802-0482 |
| Compound Name: | N-(4-fluorophenyl)-2-{[7-(4-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}butanamide |
| Molecular Weight: | 441.46 |
| Molecular Formula: | C21 H17 F2 N5 O2 S |
| Smiles: | CCC(C(Nc1ccc(cc1)F)=O)Sc1nnc2C(N(C=Cn12)c1ccc(cc1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7431 |
| logD: | 2.7429 |
| logSw: | -3.2515 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.065 |
| InChI Key: | RTMFUVJSFYQCCN-KRWDZBQOSA-N |