N-(2,6-dimethylphenyl)-2-{[6-(4-methoxyphenyl)-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-(2,6-dimethylphenyl)-2-{[6-(4-methoxyphenyl)-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]sulfanyl}acetamide
N-(2,6-dimethylphenyl)-2-{[6-(4-methoxyphenyl)-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-7984 |
| Compound Name: | N-(2,6-dimethylphenyl)-2-{[6-(4-methoxyphenyl)-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: | Cc1cccc(C)c1NC(CSc1nnc2NC(C(c3ccc(cc3)OC)=Nn12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7232 |
| logD: | 2.7212 |
| logSw: | -2.8492 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.327 |
| InChI Key: | NOTDPZBNLYWESU-UHFFFAOYSA-N |