3-(3-oxo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propyl)-6-(trifluoromethyl)-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
Chemical Structure Depiction of
3-(3-oxo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propyl)-6-(trifluoromethyl)-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
3-(3-oxo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propyl)-6-(trifluoromethyl)-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
Compound characteristics
| Compound ID: | E883-0430 |
| Compound Name: | 3-(3-oxo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propyl)-6-(trifluoromethyl)-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione |
| Molecular Weight: | 534.48 |
| Molecular Formula: | C22 H20 F6 N4 O3 S |
| Smiles: | C(CC(N1CCN(CC1)c1cccc(c1)C(F)(F)F)=O)C1NS(c2ccc(cc2N=1)C(F)(F)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1216 |
| logD: | 2.5418 |
| logSw: | -3.6596 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.277 |
| InChI Key: | WFNVPMYZQJUINK-UHFFFAOYSA-N |