4-nitro-7-[(4H-1,2,4-triazol-3-yl)sulfanyl]-2,1,3-benzoxadiazole
Chemical Structure Depiction of
4-nitro-7-[(4H-1,2,4-triazol-3-yl)sulfanyl]-2,1,3-benzoxadiazole
4-nitro-7-[(4H-1,2,4-triazol-3-yl)sulfanyl]-2,1,3-benzoxadiazole
Compound characteristics
| Compound ID: | 8018-6021 |
| Compound Name: | 4-nitro-7-[(4H-1,2,4-triazol-3-yl)sulfanyl]-2,1,3-benzoxadiazole |
| Molecular Weight: | 264.22 |
| Molecular Formula: | C8 H4 N6 O3 S |
| Smiles: | c1cc(c2c(c1[N+]([O-])=O)non2)Sc1nnc[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 1.1478 |
| logD: | 0.2229 |
| logSw: | -2.2581 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.333 |
| InChI Key: | FXSGOVDQWYLBQC-UHFFFAOYSA-N |