N-[3-(butylsulfanyl)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-(butylsulfanyl)propyl]-2-(3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
N-[3-(butylsulfanyl)propyl]-2-(3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
Compound characteristics
| Compound ID: | K788-2096 |
| Compound Name: | N-[3-(butylsulfanyl)propyl]-2-(3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide |
| Molecular Weight: | 508.62 |
| Molecular Formula: | C25 H27 F3 N2 O2 S2 |
| Smiles: | CCCCSCCCNC(CN1C(/C(=C/c2ccc(cc2)C(F)(F)F)Sc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8082 |
| logD: | 5.8082 |
| logSw: | -5.54 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.654 |
| InChI Key: | MQLVRBFDUMAWQJ-UHFFFAOYSA-N |