2-{3-nitro-5-[(1H-1,2,4-triazol-3-yl)sulfanyl]-1H-1,2,4-triazol-1-yl}acetamide
Chemical Structure Depiction of
2-{3-nitro-5-[(1H-1,2,4-triazol-3-yl)sulfanyl]-1H-1,2,4-triazol-1-yl}acetamide
2-{3-nitro-5-[(1H-1,2,4-triazol-3-yl)sulfanyl]-1H-1,2,4-triazol-1-yl}acetamide
Compound characteristics
| Compound ID: | 8017-2594 |
| Compound Name: | 2-{3-nitro-5-[(1H-1,2,4-triazol-3-yl)sulfanyl]-1H-1,2,4-triazol-1-yl}acetamide |
| Molecular Weight: | 270.23 |
| Molecular Formula: | C6 H6 N8 O3 S |
| Smiles: | C(C(N)=O)n1c(nc(n1)[N+]([O-])=O)Sc1nc[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | -1.326 |
| logD: | -1.3274 |
| logSw: | -1.744 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 124.728 |
| InChI Key: | JTEYXCVHYWXGDW-UHFFFAOYSA-N |