3-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-6-(trifluoromethyl)-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
Chemical Structure Depiction of
3-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-6-(trifluoromethyl)-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
3-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-6-(trifluoromethyl)-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
Compound characteristics
| Compound ID: | E883-0428 |
| Compound Name: | 3-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-6-(trifluoromethyl)-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione |
| Molecular Weight: | 500.93 |
| Molecular Formula: | C21 H20 Cl F3 N4 O3 S |
| Smiles: | C(CC(N1CCN(CC1)c1cccc(c1)[Cl])=O)C1NS(c2ccc(cc2N=1)C(F)(F)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9045 |
| logD: | 2.3247 |
| logSw: | -3.7099 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.277 |
| InChI Key: | HRECAPLSTWOTLL-UHFFFAOYSA-N |