2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]-N-(prop-2-en-1-yl)acetamide
Chemical Structure Depiction of
2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]-N-(prop-2-en-1-yl)acetamide
2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]-N-(prop-2-en-1-yl)acetamide
Compound characteristics
| Compound ID: | C226-4152 |
| Compound Name: | 2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]-N-(prop-2-en-1-yl)acetamide |
| Molecular Weight: | 256.28 |
| Molecular Formula: | C9 H12 N4 O3 S |
| Smiles: | Cc1c(c([nH]n1)SCC(NCC=C)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.6211 |
| logD: | 0.6106 |
| logSw: | -1.8682 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.801 |
| InChI Key: | AZSHVAVILYVMKF-UHFFFAOYSA-N |