N-[1-(4-butoxyphenyl)ethyl]-2-(3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
Chemical Structure Depiction of
N-[1-(4-butoxyphenyl)ethyl]-2-(3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
N-[1-(4-butoxyphenyl)ethyl]-2-(3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
Compound characteristics
| Compound ID: | K788-1937 |
| Compound Name: | N-[1-(4-butoxyphenyl)ethyl]-2-(3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide |
| Molecular Weight: | 554.63 |
| Molecular Formula: | C30 H29 F3 N2 O3 S |
| Smiles: | CCCCOc1ccc(cc1)C(C)NC(CN1C(/C(=C/c2ccc(cc2)C(F)(F)F)Sc2ccccc12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.1633 |
| logD: | 7.1633 |
| logSw: | -5.7383 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.122 |
| InChI Key: | XNCKHGSBJBBLQA-FQEVSTJZSA-N |