4-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-7-nitro-2,1,3-benzoxadiazole
Chemical Structure Depiction of
4-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-7-nitro-2,1,3-benzoxadiazole
4-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-7-nitro-2,1,3-benzoxadiazole
Compound characteristics
| Compound ID: | 8019-3554 |
| Compound Name: | 4-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-7-nitro-2,1,3-benzoxadiazole |
| Molecular Weight: | 354.34 |
| Molecular Formula: | C15 H10 N6 O3 S |
| Smiles: | Cn1c(c2ccccc2)nnc1Sc1ccc(c2c1non2)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4443 |
| logD: | 3.4443 |
| logSw: | -3.8309 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 94.992 |
| InChI Key: | WRIRFRURXHUQLG-UHFFFAOYSA-N |