N-{2-[benzyl(methyl)amino]ethyl}-2-(3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
Chemical Structure Depiction of
N-{2-[benzyl(methyl)amino]ethyl}-2-(3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
N-{2-[benzyl(methyl)amino]ethyl}-2-(3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
Compound characteristics
| Compound ID: | K788-2100 |
| Compound Name: | N-{2-[benzyl(methyl)amino]ethyl}-2-(3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide |
| Molecular Weight: | 525.59 |
| Molecular Formula: | C28 H26 F3 N3 O2 S |
| Smiles: | CN(CCNC(CN1C(/C(=C/c2ccc(cc2)C(F)(F)F)Sc2ccccc12)=O)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.047 |
| logD: | 4.5526 |
| logSw: | -4.5668 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.477 |
| InChI Key: | SGZQELSKEWPZRW-UHFFFAOYSA-N |