N-(4-fluorophenyl)-2-{[7-(2-methoxyphenyl)-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-(2-methoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}butanamide
N-(4-fluorophenyl)-2-{[7-(2-methoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}butanamide
Compound characteristics
| Compound ID: | G802-0230 |
| Compound Name: | N-(4-fluorophenyl)-2-{[7-(2-methoxyphenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}butanamide |
| Molecular Weight: | 453.49 |
| Molecular Formula: | C22 H20 F N5 O3 S |
| Smiles: | CCC(C(Nc1ccc(cc1)F)=O)Sc1nnc2C(N(C=Cn12)c1ccccc1OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6194 |
| logD: | 2.6191 |
| logSw: | -3.2574 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.394 |
| InChI Key: | ZGNBPUFPPPEUPG-SFHVURJKSA-N |