2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]-N-(1-phenylethyl)acetamide
Chemical Structure Depiction of
2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]-N-(1-phenylethyl)acetamide
2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]-N-(1-phenylethyl)acetamide
Compound characteristics
| Compound ID: | C226-4131 |
| Compound Name: | 2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]-N-(1-phenylethyl)acetamide |
| Molecular Weight: | 320.37 |
| Molecular Formula: | C14 H16 N4 O3 S |
| Smiles: | CC(c1ccccc1)NC(CSc1c(c(C)n[nH]1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1141 |
| logD: | 2.1035 |
| logSw: | -2.5277 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.851 |
| InChI Key: | KNEBWLGOFPXWFZ-VIFPVBQESA-N |