4-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2-{[4-(trifluoromethyl)phenyl]methylidene}-2H-1,4-benzothiazin-3(4H)-one
Chemical Structure Depiction of
4-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2-{[4-(trifluoromethyl)phenyl]methylidene}-2H-1,4-benzothiazin-3(4H)-one
4-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2-{[4-(trifluoromethyl)phenyl]methylidene}-2H-1,4-benzothiazin-3(4H)-one
Compound characteristics
| Compound ID: | C312-1670 |
| Compound Name: | 4-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2-{[4-(trifluoromethyl)phenyl]methylidene}-2H-1,4-benzothiazin-3(4H)-one |
| Molecular Weight: | 494.53 |
| Molecular Formula: | C27 H21 F3 N2 O2 S |
| Smiles: | C1CN(Cc2ccccc12)C(CN1C(/C(=C\c2ccc(cc2)C(F)(F)F)Sc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8094 |
| logD: | 5.8094 |
| logSw: | -6.012 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 31.1239 |
| InChI Key: | PZKYHDXXWNFILY-UHFFFAOYSA-N |