N-(3-acetylphenyl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3-acetylphenyl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide
N-(3-acetylphenyl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | C226-4186 |
| Compound Name: | N-(3-acetylphenyl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide |
| Molecular Weight: | 334.35 |
| Molecular Formula: | C14 H14 N4 O4 S |
| Smiles: | CC(c1cccc(c1)NC(CSc1c(c(C)n[nH]1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9462 |
| logD: | 1.9356 |
| logSw: | -2.6614 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.192 |
| InChI Key: | DZIRVKNJMRWSOB-UHFFFAOYSA-N |