2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]-N-(2-methylpropyl)acetamide
Chemical Structure Depiction of
2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]-N-(2-methylpropyl)acetamide
2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]-N-(2-methylpropyl)acetamide
Compound characteristics
| Compound ID: | C226-4142 |
| Compound Name: | 2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]-N-(2-methylpropyl)acetamide |
| Molecular Weight: | 272.32 |
| Molecular Formula: | C10 H16 N4 O3 S |
| Smiles: | CC(C)CNC(CSc1c(c(C)n[nH]1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3768 |
| logD: | 1.3662 |
| logSw: | -2.1266 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.959 |
| InChI Key: | HHKAMPNORVNYGR-UHFFFAOYSA-N |