2-[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]-N-(2-nitrophenyl)acetamide
Chemical Structure Depiction of
2-[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]-N-(2-nitrophenyl)acetamide
2-[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]-N-(2-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | 8006-2476 |
| Compound Name: | 2-[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]-N-(2-nitrophenyl)acetamide |
| Molecular Weight: | 321.31 |
| Molecular Formula: | C12 H11 N5 O4 S |
| Smiles: | CC1C(NC(=NN=1)SCC(Nc1ccccc1[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3142 |
| logD: | 1.2329 |
| logSw: | -2.3866 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.773 |
| InChI Key: | DRIXLWNUIONUOI-UHFFFAOYSA-N |