N-[2-(4-chlorophenyl)ethyl]-2-(3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
Chemical Structure Depiction of
N-[2-(4-chlorophenyl)ethyl]-2-(3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
N-[2-(4-chlorophenyl)ethyl]-2-(3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
Compound characteristics
| Compound ID: | K788-2258 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-2-(3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide |
| Molecular Weight: | 516.97 |
| Molecular Formula: | C26 H20 Cl F3 N2 O2 S |
| Smiles: | C(CNC(CN1C(/C(=C\c2ccc(cc2)C(F)(F)F)Sc2ccccc12)=O)=O)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.8706 |
| logD: | 5.8706 |
| logSw: | -6.2716 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.382 |
| InChI Key: | ANJORPXKXDAJLK-UHFFFAOYSA-N |