2-[(6-tert-butyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)sulfanyl]-N-phenyl-N-(propan-2-yl)acetamide
Chemical Structure Depiction of
2-[(6-tert-butyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)sulfanyl]-N-phenyl-N-(propan-2-yl)acetamide
2-[(6-tert-butyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)sulfanyl]-N-phenyl-N-(propan-2-yl)acetamide
Compound characteristics
| Compound ID: | G856-8075 |
| Compound Name: | 2-[(6-tert-butyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)sulfanyl]-N-phenyl-N-(propan-2-yl)acetamide |
| Molecular Weight: | 400.5 |
| Molecular Formula: | C19 H24 N6 O2 S |
| Smiles: | CC(C)N(C(CSc1nnc2NC(C(C(C)(C)C)=Nn12)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.0285 |
| logD: | 3.0284 |
| logSw: | -3.3464 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.519 |
| InChI Key: | XPJCTJGAYHMNGQ-UHFFFAOYSA-N |