2-({5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4-ethyl-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-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
2-({5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | Y502-3707 |
| Compound Name: | 2-({5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 353.4 |
| Molecular Formula: | C13 H19 N7 O3 S |
| Smiles: | CCn1c(CCn2c(C)c(c(C)n2)[N+]([O-])=O)nnc1SCC(N)=O |
| Stereo: | ACHIRAL |
| logP: | -0.1045 |
| logD: | -0.1051 |
| logSw: | -0.8502 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.912 |
| InChI Key: | SQKUUHLYNRRZGX-UHFFFAOYSA-N |