3-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl}-6-(trifluoromethyl)-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
Chemical Structure Depiction of
3-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl}-6-(trifluoromethyl)-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
3-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl}-6-(trifluoromethyl)-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione
Compound characteristics
| Compound ID: | E883-0459 |
| Compound Name: | 3-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl}-6-(trifluoromethyl)-1lambda~6~,2,4-benzothiadiazine-1,1(2H)-dione |
| Molecular Weight: | 514.95 |
| Molecular Formula: | C22 H22 Cl F3 N4 O3 S |
| Smiles: | Cc1ccc(cc1N1CCN(CC1)C(CCC1NS(c2ccc(cc2N=1)C(F)(F)F)(=O)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.6035 |
| logD: | 3.0237 |
| logSw: | -4.163 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.976 |
| InChI Key: | WWBGWCLORJQMIO-UHFFFAOYSA-N |