2-({6-[(4-methylphenyl)methyl]-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-[(4-methylphenyl)methyl]-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-[(4-methylphenyl)methyl]-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: | G856-8031 |
| Compound Name: | 2-({6-[(4-methylphenyl)methyl]-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: | 448.55 |
| Molecular Formula: | C23 H24 N6 O2 S |
| Smiles: | CC(C)N(C(CSc1nnc2NC(C(Cc3ccc(C)cc3)=Nn12)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.6566 |
| logD: | 3.6565 |
| logSw: | -3.8884 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.151 |
| InChI Key: | NBTCNCSBTCVOKL-UHFFFAOYSA-N |