5-[(4-chlorophenyl)methyl]-2-{[3-(trifluoromethyl)phenyl]methyl}-2,3-dihydro-1H-1lambda~6~,2,5-benzothiadiazepine-1,1,4(5H)-trione
Chemical Structure Depiction of
5-[(4-chlorophenyl)methyl]-2-{[3-(trifluoromethyl)phenyl]methyl}-2,3-dihydro-1H-1lambda~6~,2,5-benzothiadiazepine-1,1,4(5H)-trione
5-[(4-chlorophenyl)methyl]-2-{[3-(trifluoromethyl)phenyl]methyl}-2,3-dihydro-1H-1lambda~6~,2,5-benzothiadiazepine-1,1,4(5H)-trione
Compound characteristics
| Compound ID: | L051-0068 |
| Compound Name: | 5-[(4-chlorophenyl)methyl]-2-{[3-(trifluoromethyl)phenyl]methyl}-2,3-dihydro-1H-1lambda~6~,2,5-benzothiadiazepine-1,1,4(5H)-trione |
| Molecular Weight: | 494.92 |
| Molecular Formula: | C23 H18 Cl F3 N2 O3 S |
| Smiles: | C(c1ccc(cc1)[Cl])N1C(CN(Cc2cccc(c2)C(F)(F)F)S(c2ccccc12)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0383 |
| logD: | 5.0383 |
| logSw: | -5.2373 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.273 |
| InChI Key: | MTQPSIYCRFUXOS-UHFFFAOYSA-N |