N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-[(2Z)-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-2,3-dihydro-4H-1,4-benzothiazin-4-yl]acetamide
Chemical Structure Depiction of
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-[(2Z)-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-2,3-dihydro-4H-1,4-benzothiazin-4-yl]acetamide
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-[(2Z)-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-2,3-dihydro-4H-1,4-benzothiazin-4-yl]acetamide
Compound characteristics
| Compound ID: | K788-2105 |
| Compound Name: | N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-[(2Z)-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-2,3-dihydro-4H-1,4-benzothiazin-4-yl]acetamide |
| Molecular Weight: | 531.64 |
| Molecular Formula: | C28 H32 F3 N3 O2 S |
| Smiles: | CC1CC(C)CN(CCCNC(CN2C(/C(=C/c3ccc(cc3)C(F)(F)F)Sc3ccccc23)=O)=O)C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.4844 |
| logD: | 2.8795 |
| logSw: | -5.4039 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.232 |
| InChI Key: | BEPMNOXZHSQAHN-UHFFFAOYSA-N |