N-(2,5-dimethylphenyl)-2-({6-[(4-methoxyphenyl)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-(2,5-dimethylphenyl)-2-({6-[(4-methoxyphenyl)methyl]-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl}sulfanyl)acetamide
N-(2,5-dimethylphenyl)-2-({6-[(4-methoxyphenyl)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: | G856-8041 |
| Compound Name: | N-(2,5-dimethylphenyl)-2-({6-[(4-methoxyphenyl)methyl]-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 450.52 |
| Molecular Formula: | C22 H22 N6 O3 S |
| Smiles: | Cc1ccc(C)c(c1)NC(CSc1nnc2NC(C(Cc3ccc(cc3)OC)=Nn12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7262 |
| logD: | 2.7261 |
| logSw: | -3.1119 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.928 |
| InChI Key: | IODGLGCVUAEFGL-UHFFFAOYSA-N |