1-(3,4-dihydroquinolin-1(2H)-yl)-2-[2-(trifluoromethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-1-yl]ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroquinolin-1(2H)-yl)-2-[2-(trifluoromethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-1-yl]ethan-1-one
1-(3,4-dihydroquinolin-1(2H)-yl)-2-[2-(trifluoromethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-1-yl]ethan-1-one
Compound characteristics
Compound ID: | D622-0096 |
Compound Name: | 1-(3,4-dihydroquinolin-1(2H)-yl)-2-[2-(trifluoromethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-1-yl]ethan-1-one |
Molecular Weight: | 417.39 |
Molecular Formula: | C21 H18 F3 N3 O3 |
Smiles: | C1Cc2ccccc2N(C1)C(Cn1c2cc3c(cc2nc1C(F)(F)F)OCCO3)=O |
Stereo: | ACHIRAL |
logP: | 2.864 |
logD: | 2.864 |
logSw: | -3.2606 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 41.047 |
InChI Key: | UKMPBAMPCFEBKQ-UHFFFAOYSA-N |