2-[(2-nitrothiophen-3-yl)sulfanyl]-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one
Chemical Structure Depiction of
2-[(2-nitrothiophen-3-yl)sulfanyl]-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one
2-[(2-nitrothiophen-3-yl)sulfanyl]-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | C700-1502 |
| Compound Name: | 2-[(2-nitrothiophen-3-yl)sulfanyl]-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one |
| Molecular Weight: | 431.45 |
| Molecular Formula: | C17 H16 F3 N3 O3 S2 |
| Smiles: | C1CN(CCN1C(CSc1ccsc1[N+]([O-])=O)=O)c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 3.5368 |
| logD: | 3.5368 |
| logSw: | -3.7709 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.07 |
| InChI Key: | IQJRGWRABDFFIY-UHFFFAOYSA-N |