1-{5-bromo-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-{5-bromo-1-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-1H-indol-3-yl}-2,2,2-trifluoroethan-1-one
1-{5-bromo-1-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-1H-indol-3-yl}-2,2,2-trifluoroethan-1-one
Compound characteristics
| Compound ID: | 5646-0289 |
| Compound Name: | 1-{5-bromo-1-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-1H-indol-3-yl}-2,2,2-trifluoroethan-1-one |
| Molecular Weight: | 465.27 |
| Molecular Formula: | C21 H16 Br F3 N2 O2 |
| Smiles: | C1CN(Cc2ccccc12)C(Cn1cc(C(C(F)(F)F)=O)c2cc(ccc12)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.6432 |
| logD: | 4.6432 |
| logSw: | -4.5626 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 31.764 |
| InChI Key: | MOCDNHFXKPQXSH-UHFFFAOYSA-N |