3-(2-methyl-4-oxo-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}butyl)-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
Chemical Structure Depiction of
3-(2-methyl-4-oxo-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}butyl)-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
3-(2-methyl-4-oxo-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}butyl)-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
Compound characteristics
| Compound ID: | F275-0147 |
| Compound Name: | 3-(2-methyl-4-oxo-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}butyl)-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione |
| Molecular Weight: | 494.53 |
| Molecular Formula: | C23 H25 F3 N4 O3 S |
| Smiles: | CC(CC1NS(c2ccccc2N=1)(=O)=O)CC(N1CCN(CC1)c1cccc(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0767 |
| logD: | 2.6366 |
| logSw: | -3.6856 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.277 |
| InChI Key: | LQKJNTLOMDQYCA-MRXNPFEDSA-N |