2-({5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methylpropyl)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)-N-(2-methylpropyl)acetamide
2-({5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methylpropyl)acetamide
Compound characteristics
| Compound ID: | Y503-1434 |
| 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)-N-(2-methylpropyl)acetamide |
| Molecular Weight: | 395.48 |
| Molecular Formula: | C16 H25 N7 O3 S |
| Smiles: | CC(C)CNC(CSc1nnc(CCn2c(C)c(c(C)n2)[N+]([O-])=O)n1C)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6135 |
| logD: | 0.6133 |
| logSw: | -1.9146 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.081 |
| InChI Key: | ZQHIRWGUWXESGS-UHFFFAOYSA-N |