methyl (2-{[2-(trifluoromethyl)phenyl]carbamoyl}-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate
Chemical Structure Depiction of
methyl (2-{[2-(trifluoromethyl)phenyl]carbamoyl}-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate
methyl (2-{[2-(trifluoromethyl)phenyl]carbamoyl}-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate
Compound characteristics
| Compound ID: | G525-0203 |
| Compound Name: | methyl (2-{[2-(trifluoromethyl)phenyl]carbamoyl}-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate |
| Molecular Weight: | 392.38 |
| Molecular Formula: | C20 H19 F3 N2 O3 |
| Smiles: | COC(CC1c2ccccc2CCN1C(Nc1ccccc1C(F)(F)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3443 |
| logD: | 4.3443 |
| logSw: | -4.2905 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.787 |
| InChI Key: | APRCGKUDUFYNDA-KRWDZBQOSA-N |