2-({5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
2-({5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
2-({5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | Y502-4078 |
| Compound Name: | 2-({5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 339.37 |
| Molecular Formula: | C12 H17 N7 O3 S |
| Smiles: | Cc1c(c(C)n(CCc2nnc(n2C)SCC(N)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | -0.7191 |
| logD: | -0.7192 |
| logSw: | -0.7434 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.998 |
| InChI Key: | XLUVAZKXIJRUIH-UHFFFAOYSA-N |