N-[(2H-1,3-benzodioxol-5-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-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
Compound characteristics
| Compound ID: | K788-1990 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide |
| Molecular Weight: | 512.51 |
| Molecular Formula: | C26 H19 F3 N2 O4 S |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(CN1C(/C(=C/c2ccc(cc2)C(F)(F)F)Sc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4143 |
| logD: | 5.4143 |
| logSw: | -5.8761 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.657 |
| InChI Key: | RKYFFLPHEOUJHK-UHFFFAOYSA-N |