N-(3-chloro-4-fluorophenyl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide
N-(3-chloro-4-fluorophenyl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | C226-4166 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide |
| Molecular Weight: | 344.75 |
| Molecular Formula: | C12 H10 Cl F N4 O3 S |
| Smiles: | Cc1c(c([nH]n1)SCC(Nc1ccc(c(c1)[Cl])F)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.9354 |
| logD: | 2.9249 |
| logSw: | -3.5901 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.366 |
| InChI Key: | VWGGTLPKPCCTDL-UHFFFAOYSA-N |