(2E)-4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2-{[4-(trifluoromethyl)phenyl]methylidene}-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
(2E)-4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2-{[4-(trifluoromethyl)phenyl]methylidene}-2H-1,4-benzothiazin-3(4H)-one
(2E)-4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2-{[4-(trifluoromethyl)phenyl]methylidene}-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | C312-1677 |
| Compound Name: | (2E)-4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2-{[4-(trifluoromethyl)phenyl]methylidene}-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 474.54 |
| Molecular Formula: | C25 H25 F3 N2 O2 S |
| Smiles: | CC1CC(C)CN(C1)C(CN1C(/C(=C\c2ccc(cc2)C(F)(F)F)Sc2ccccc12)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.7671 |
| logD: | 5.7671 |
| logSw: | -5.5994 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 31.3289 |
| InChI Key: | YGTMGFIBMGPOQP-UHFFFAOYSA-N |