N-[(oxolan-2-yl)methyl]-2-(3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
Chemical Structure Depiction of
N-[(oxolan-2-yl)methyl]-2-(3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
N-[(oxolan-2-yl)methyl]-2-(3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
Compound characteristics
| Compound ID: | C312-1637 |
| Compound Name: | N-[(oxolan-2-yl)methyl]-2-(3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide |
| Molecular Weight: | 462.49 |
| Molecular Formula: | C23 H21 F3 N2 O3 S |
| Smiles: | C1CC(CNC(CN2C(/C(=C\c3ccc(cc3)C(F)(F)F)Sc3ccccc23)=O)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9567 |
| logD: | 3.9567 |
| logSw: | -4.2089 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.195 |
| InChI Key: | GSIMOGXJJGZTQN-QGZVFWFLSA-N |