2-[1-(pyrrolidine-1-carbonyl)-3,4-dihydroisoquinolin-2(1H)-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide
Chemical Structure Depiction of
2-[1-(pyrrolidine-1-carbonyl)-3,4-dihydroisoquinolin-2(1H)-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide
2-[1-(pyrrolidine-1-carbonyl)-3,4-dihydroisoquinolin-2(1H)-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide
Compound characteristics
| Compound ID: | P099-0325 |
| Compound Name: | 2-[1-(pyrrolidine-1-carbonyl)-3,4-dihydroisoquinolin-2(1H)-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide |
| Molecular Weight: | 445.48 |
| Molecular Formula: | C24 H26 F3 N3 O2 |
| Smiles: | C1CCN(C1)C(C1c2ccccc2CCN1CC(NCc1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6868 |
| logD: | 3.6862 |
| logSw: | -4.1068 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.869 |
| InChI Key: | CLJJKGVGUMSRPR-JOCHJYFZSA-N |