N-(4-methoxyphenyl)-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-(4-methoxyphenyl)-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-(4-methoxyphenyl)-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: | G856-8010 |
| Compound Name: | N-(4-methoxyphenyl)-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: | 436.49 |
| Molecular Formula: | C21 H20 N6 O3 S |
| Smiles: | Cc1ccc(CC2C(Nc3nnc(n3N=2)SCC(Nc2ccc(cc2)OC)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1084 |
| logD: | 3.1083 |
| logSw: | -3.5018 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.626 |
| InChI Key: | FTDOKQQSXCQAHX-UHFFFAOYSA-N |