1-[(4-chlorophenyl)methyl]-3-{[3-(trifluoromethyl)anilino]methylidene}-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione
Chemical Structure Depiction of
1-[(4-chlorophenyl)methyl]-3-{[3-(trifluoromethyl)anilino]methylidene}-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione
1-[(4-chlorophenyl)methyl]-3-{[3-(trifluoromethyl)anilino]methylidene}-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione
Compound characteristics
| Compound ID: | E745-0119 |
| Compound Name: | 1-[(4-chlorophenyl)methyl]-3-{[3-(trifluoromethyl)anilino]methylidene}-2lambda~6~,1-benzothiazine-2,2,4(1H,3H)-trione |
| Molecular Weight: | 492.9 |
| Molecular Formula: | C23 H16 Cl F3 N2 O3 S |
| Smiles: | C(c1ccc(cc1)[Cl])N1c2ccccc2C(/C(=C\Nc2cccc(c2)C(F)(F)F)S1(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5296 |
| logD: | 5.5254 |
| logSw: | -6.0496 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.509 |
| InChI Key: | GPAZYJJTWQRHKZ-UHFFFAOYSA-N |