1-methyl-3-nitro-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1H-1,2,4-triazole
Chemical Structure Depiction of
1-methyl-3-nitro-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1H-1,2,4-triazole
1-methyl-3-nitro-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | 6929-0025 |
| Compound Name: | 1-methyl-3-nitro-5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1H-1,2,4-triazole |
| Molecular Weight: | 303.3 |
| Molecular Formula: | C11 H9 N7 O2 S |
| Smiles: | Cn1c(nc(n1)[N+]([O-])=O)Sc1nc(c2ccccc2)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 2.1882 |
| logD: | 2.1732 |
| logSw: | -2.4452 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.708 |
| InChI Key: | KZDUITOJWHUFHU-UHFFFAOYSA-N |