2-[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-(4-nitrophenyl)acetamide
Chemical Structure Depiction of
2-[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-(4-nitrophenyl)acetamide
2-[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-(4-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | G856-6693 |
| Compound Name: | 2-[(5-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-(4-nitrophenyl)acetamide |
| Molecular Weight: | 360.35 |
| Molecular Formula: | C14 H12 N6 O4 S |
| Smiles: | CC1=CC(Nc2nnc(n12)SCC(Nc1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1964 |
| logD: | 1.1803 |
| logSw: | -2.4695 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.228 |
| InChI Key: | RWZTVERSWDBMEG-UHFFFAOYSA-N |