1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[(2-nitrothiophen-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[(2-nitrothiophen-3-yl)sulfanyl]ethan-1-one
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[(2-nitrothiophen-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | C700-1500 |
| Compound Name: | 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[(2-nitrothiophen-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 381.45 |
| Molecular Formula: | C16 H16 F N3 O3 S2 |
| Smiles: | C1CN(CCN1C(CSc1ccsc1[N+]([O-])=O)=O)c1ccccc1F |
| Stereo: | ACHIRAL |
| logP: | 2.9146 |
| logD: | 2.9146 |
| logSw: | -3.4404 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.769 |
| InChI Key: | XADBFBJFGGPYRI-UHFFFAOYSA-N |