2-({2-[4-(trifluoromethoxy)benzene-1-sulfonyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}methyl)-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-({2-[4-(trifluoromethoxy)benzene-1-sulfonyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}methyl)-1H-isoindole-1,3(2H)-dione
2-({2-[4-(trifluoromethoxy)benzene-1-sulfonyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}methyl)-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K831-0168 |
| Compound Name: | 2-({2-[4-(trifluoromethoxy)benzene-1-sulfonyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}methyl)-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 516.49 |
| Molecular Formula: | C25 H19 F3 N2 O5 S |
| Smiles: | C1CN(C(CN2C(c3ccccc3C2=O)=O)c2ccccc12)S(c1ccc(cc1)OC(F)(F)F)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2738 |
| logD: | 5.2738 |
| logSw: | -5.3918 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 67.114 |
| InChI Key: | YPMBZHUHFFVGET-QFIPXVFZSA-N |