6-(trifluoromethyl)-3-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-3,4-dihydro-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
Chemical Structure Depiction of
6-(trifluoromethyl)-3-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-3,4-dihydro-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
6-(trifluoromethyl)-3-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-3,4-dihydro-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
Compound characteristics
| Compound ID: | C201-0490 |
| Compound Name: | 6-(trifluoromethyl)-3-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-3,4-dihydro-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione |
| Molecular Weight: | 508.44 |
| Molecular Formula: | C20 H18 F6 N4 O3 S |
| Smiles: | C1CN(CCN1C(C1Nc2cc(ccc2S(N1)(=O)=O)C(F)(F)F)=O)c1cccc(c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8579 |
| logD: | 2.8573 |
| logSw: | -3.534 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.281 |
| InChI Key: | YQTMDUSBDWYGSN-KRWDZBQOSA-N |