{5-[(2-chlorobenzene-1-sulfinyl)methyl]furan-2-yl}{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methanone
Chemical Structure Depiction of
{5-[(2-chlorobenzene-1-sulfinyl)methyl]furan-2-yl}{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methanone
{5-[(2-chlorobenzene-1-sulfinyl)methyl]furan-2-yl}{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methanone
Compound characteristics
| Compound ID: | E535-2043 |
| Compound Name: | {5-[(2-chlorobenzene-1-sulfinyl)methyl]furan-2-yl}{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methanone |
| Molecular Weight: | 496.93 |
| Molecular Formula: | C23 H20 Cl F3 N2 O3 S |
| Smiles: | C1CN(CCN1C(c1ccc(CS(c2ccccc2[Cl])=O)o1)=O)c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.5129 |
| logD: | 4.5129 |
| logSw: | -4.5681 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.129 |
| InChI Key: | XYMAOROKVOJLSR-UHFFFAOYSA-N |