4-methyl-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylic acid
Chemical Structure Depiction of
4-methyl-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylic acid
4-methyl-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylic acid
Compound characteristics
| Compound ID: | K783-6008 |
| Compound Name: | 4-methyl-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylic acid |
| Molecular Weight: | 379.36 |
| Molecular Formula: | C18 H12 F3 N O3 S |
| Smiles: | CN1C(/C(=C/c2ccc(cc2)C(F)(F)F)Sc2ccc(cc12)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5585 |
| logD: | 1.8732 |
| logSw: | -4.3473 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.515 |
| InChI Key: | PYWNYUXJYDDOSP-UHFFFAOYSA-N |