N-{3-[butyl(ethyl)amino]propyl}-2-(3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
Chemical Structure Depiction of
N-{3-[butyl(ethyl)amino]propyl}-2-(3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
N-{3-[butyl(ethyl)amino]propyl}-2-(3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
Compound characteristics
| Compound ID: | K788-2471 |
| Compound Name: | N-{3-[butyl(ethyl)amino]propyl}-2-(3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide |
| Molecular Weight: | 519.63 |
| Molecular Formula: | C27 H32 F3 N3 O2 S |
| Smiles: | CCCCN(CC)CCCNC(CN1C(/C(=C/c2ccc(cc2)C(F)(F)F)Sc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5019 |
| logD: | 2.7513 |
| logSw: | -5.3369 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.319 |
| InChI Key: | JMMZBKWSCKUTSU-UHFFFAOYSA-N |