N-methyl-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]-N-phenylacetamide
Chemical Structure Depiction of
N-methyl-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]-N-phenylacetamide
N-methyl-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]-N-phenylacetamide
Compound characteristics
| Compound ID: | C226-4130 |
| Compound Name: | N-methyl-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]-N-phenylacetamide |
| Molecular Weight: | 306.34 |
| Molecular Formula: | C13 H14 N4 O3 S |
| Smiles: | Cc1c(c([nH]n1)SCC(N(C)c1ccccc1)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.6469 |
| logD: | 1.6363 |
| logSw: | -2.325 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.329 |
| InChI Key: | UCWXGDBITHJWDO-UHFFFAOYSA-N |