2-({[3-(methylsulfanyl)-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-7-yl]imino}methyl)-4-nitrophenol
Chemical Structure Depiction of
2-({[3-(methylsulfanyl)-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-7-yl]imino}methyl)-4-nitrophenol
2-({[3-(methylsulfanyl)-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-7-yl]imino}methyl)-4-nitrophenol
Compound characteristics
| Compound ID: | 2814-0047 |
| Compound Name: | 2-({[3-(methylsulfanyl)-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-7-yl]imino}methyl)-4-nitrophenol |
| Molecular Weight: | 319.3 |
| Molecular Formula: | C11 H9 N7 O3 S |
| Smiles: | CSc1nnc2n(cnn12)/N=C/c1cc(ccc1O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.1102 |
| logD: | -1.0822 |
| logSw: | -2.0306 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.801 |
| InChI Key: | DUSLORHKFKDLQB-UHFFFAOYSA-N |