2-[(6-tert-butyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)sulfanyl]-N-(2-chlorophenyl)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-(2-chlorophenyl)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-(2-chlorophenyl)acetamide
Compound characteristics
| Compound ID: | G856-8058 |
| 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-(2-chlorophenyl)acetamide |
| Molecular Weight: | 392.86 |
| Molecular Formula: | C16 H17 Cl N6 O2 S |
| Smiles: | CC(C)(C)C1C(Nc2nnc(n2N=1)SCC(Nc1ccccc1[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5487 |
| logD: | 2.5486 |
| logSw: | -3.07 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.752 |
| InChI Key: | VVWTXMOCNDQVNX-UHFFFAOYSA-N |