N-(4-acetylphenyl)-2-{[7-(3-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-acetylphenyl)-2-{[7-(3-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetamide
N-(4-acetylphenyl)-2-{[7-(3-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G802-0062 |
| Compound Name: | N-(4-acetylphenyl)-2-{[7-(3-fluorophenyl)-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 437.45 |
| Molecular Formula: | C21 H16 F N5 O3 S |
| Smiles: | CC(c1ccc(cc1)NC(CSc1nnc2C(N(C=Cn12)c1cccc(c1)F)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3686 |
| logD: | 1.3684 |
| logSw: | -2.3649 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.678 |
| InChI Key: | DFDGEKCGEGVGCT-UHFFFAOYSA-N |