1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]ethan-1-one
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | C226-4117 |
| Compound Name: | 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 379.41 |
| Molecular Formula: | C16 H18 F N5 O3 S |
| Smiles: | Cc1c(c([nH]n1)SCC(N1CCN(CC1)c1ccc(cc1)F)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.254 |
| logD: | 2.2435 |
| logSw: | -2.5997 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.869 |
| InChI Key: | DPKISZOVLUISSC-UHFFFAOYSA-N |