N-(2H-1,3-benzodioxol-5-yl)-2-({6-[(4-methylphenyl)methyl]-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-({6-[(4-methylphenyl)methyl]-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl}sulfanyl)acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-({6-[(4-methylphenyl)methyl]-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | G856-8029 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-({6-[(4-methylphenyl)methyl]-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 450.47 |
| Molecular Formula: | C21 H18 N6 O4 S |
| Smiles: | Cc1ccc(CC2C(Nc3nnc(n3N=2)SCC(Nc2ccc3c(c2)OCO3)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.9591 |
| logD: | 2.959 |
| logSw: | -3.2972 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.198 |
| InChI Key: | CDGJPJWYAFHTBV-UHFFFAOYSA-N |