1-{1-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-1H-indol-3-yl}-2,2,2-trifluoroethan-1-one
Chemical Structure Depiction of
1-{1-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-1H-indol-3-yl}-2,2,2-trifluoroethan-1-one
1-{1-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-1H-indol-3-yl}-2,2,2-trifluoroethan-1-one
Compound characteristics
| Compound ID: | 5241-0385 |
| Compound Name: | 1-{1-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-1H-indol-3-yl}-2,2,2-trifluoroethan-1-one |
| Molecular Weight: | 386.37 |
| Molecular Formula: | C21 H17 F3 N2 O2 |
| Smiles: | C1CN(Cc2ccccc12)C(Cn1cc(C(C(F)(F)F)=O)c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8266 |
| logD: | 3.8266 |
| logSw: | -3.9392 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 31.764 |
| InChI Key: | REKCGNPBIAGDLJ-UHFFFAOYSA-N |