2-[(6-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)sulfanyl]-N-[4-(propan-2-yl)phenyl]acetamide
Chemical Structure Depiction of
2-[(6-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)sulfanyl]-N-[4-(propan-2-yl)phenyl]acetamide
2-[(6-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)sulfanyl]-N-[4-(propan-2-yl)phenyl]acetamide
Compound characteristics
| Compound ID: | G856-7945 |
| Compound Name: | 2-[(6-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)sulfanyl]-N-[4-(propan-2-yl)phenyl]acetamide |
| Molecular Weight: | 358.42 |
| Molecular Formula: | C16 H18 N6 O2 S |
| Smiles: | CC(C)c1ccc(cc1)NC(CSc1nnc2NC(C(C)=Nn12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6291 |
| logD: | 2.628 |
| logSw: | -3.1179 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.623 |
| InChI Key: | ZZYBQYRVGVJGAM-UHFFFAOYSA-N |