3-{[(4-nitrophenyl)methyl]sulfanyl}-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazole
Chemical Structure Depiction of
3-{[(4-nitrophenyl)methyl]sulfanyl}-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazole
3-{[(4-nitrophenyl)methyl]sulfanyl}-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazole
Compound characteristics
| Compound ID: | 2814-0060 |
| Compound Name: | 3-{[(4-nitrophenyl)methyl]sulfanyl}-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazole |
| Molecular Weight: | 276.27 |
| Molecular Formula: | C10 H8 N6 O2 S |
| Smiles: | C(c1ccc(cc1)[N+]([O-])=O)Sc1nnc2[nH]cnn12 |
| Stereo: | ACHIRAL |
| logP: | 0.8386 |
| logD: | 0.3954 |
| logSw: | -2.2427 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.703 |
| InChI Key: | PVRDQCYQVDDFPR-UHFFFAOYSA-N |