{1-(2H-1,3-benzodioxole-5-carbonyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}(3,4-dihydroisoquinolin-2(1H)-yl)methanone
Chemical Structure Depiction of
{1-(2H-1,3-benzodioxole-5-carbonyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}(3,4-dihydroisoquinolin-2(1H)-yl)methanone
{1-(2H-1,3-benzodioxole-5-carbonyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}(3,4-dihydroisoquinolin-2(1H)-yl)methanone
Compound characteristics
| Compound ID: | V026-9119 |
| Compound Name: | {1-(2H-1,3-benzodioxole-5-carbonyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}(3,4-dihydroisoquinolin-2(1H)-yl)methanone |
| Molecular Weight: | 522.52 |
| Molecular Formula: | C29 H25 F3 N2 O4 |
| Smiles: | C1CN(Cc2ccccc12)C(C1CN(CC1c1cccc(c1)C(F)(F)F)C(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9158 |
| logD: | 4.9158 |
| logSw: | -4.9106 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.274 |
| InChI Key: | OIKUGGXGEMBGFO-UHFFFAOYSA-N |