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-[4-(propan-2-yl)phenyl]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-[4-(propan-2-yl)phenyl]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-[4-(propan-2-yl)phenyl]acetamide
Compound characteristics
| Compound ID: | G856-8017 |
| 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-[4-(propan-2-yl)phenyl]acetamide |
| Molecular Weight: | 448.55 |
| Molecular Formula: | C23 H24 N6 O2 S |
| Smiles: | CC(C)c1ccc(cc1)NC(CSc1nnc2NC(C(Cc3ccc(C)cc3)=Nn12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4642 |
| logD: | 4.4641 |
| logSw: | -4.2345 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.082 |
| InChI Key: | FFHFOWOWKIVBAR-UHFFFAOYSA-N |