N-[1-(adamantan-1-yl)ethyl]-2-[(2Z)-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-2,3-dihydro-4H-1,4-benzothiazin-4-yl]acetamide
Chemical Structure Depiction of
N-[1-(adamantan-1-yl)ethyl]-2-[(2Z)-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-2,3-dihydro-4H-1,4-benzothiazin-4-yl]acetamide
N-[1-(adamantan-1-yl)ethyl]-2-[(2Z)-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-2,3-dihydro-4H-1,4-benzothiazin-4-yl]acetamide
Compound characteristics
| Compound ID: | K788-2108 |
| Compound Name: | N-[1-(adamantan-1-yl)ethyl]-2-[(2Z)-3-oxo-2-{[4-(trifluoromethyl)phenyl]methylidene}-2,3-dihydro-4H-1,4-benzothiazin-4-yl]acetamide |
| Molecular Weight: | 540.65 |
| Molecular Formula: | C30 H31 F3 N2 O2 S |
| Smiles: | [H][C@]12CC3(C[C@]([H])(C1)C[C@@]([H])(C3)C2)C(C)NC(CN1C(/C(=C/c2ccc(cc2)C(F)(F)F)Sc2ccccc12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.0215 |
| logD: | 7.0215 |
| logSw: | -5.8352 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.737 |
| InChI Key: | BOYGPYYPWUYSEW-CPLFSFDISA-N |