2-{[6-(4-chlorophenyl)-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]sulfanyl}-N-(3-fluorophenyl)acetamide
Chemical Structure Depiction of
2-{[6-(4-chlorophenyl)-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]sulfanyl}-N-(3-fluorophenyl)acetamide
2-{[6-(4-chlorophenyl)-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]sulfanyl}-N-(3-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | G856-7969 |
| Compound Name: | 2-{[6-(4-chlorophenyl)-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]sulfanyl}-N-(3-fluorophenyl)acetamide |
| Molecular Weight: | 430.85 |
| Molecular Formula: | C18 H12 Cl F N6 O2 S |
| Smiles: | C(C(Nc1cccc(c1)F)=O)Sc1nnc2NC(C(c3ccc(cc3)[Cl])=Nn12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3043 |
| logD: | 3.3022 |
| logSw: | -3.8654 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.178 |
| InChI Key: | UWTBKYDEURUOAL-UHFFFAOYSA-N |