1-[2-(thiophen-2-yl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]-2-[3-(trifluoromethyl)phenyl]ethan-1-one
Chemical Structure Depiction of
1-[2-(thiophen-2-yl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]-2-[3-(trifluoromethyl)phenyl]ethan-1-one
1-[2-(thiophen-2-yl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]-2-[3-(trifluoromethyl)phenyl]ethan-1-one
Compound characteristics
Compound ID: | P221-0377 |
Compound Name: | 1-[2-(thiophen-2-yl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]-2-[3-(trifluoromethyl)phenyl]ethan-1-one |
Molecular Weight: | 405.44 |
Molecular Formula: | C20 H18 F3 N3 O S |
Smiles: | C1CN(Cc2cc(c3cccs3)nn2C1)C(Cc1cccc(c1)C(F)(F)F)=O |
Stereo: | ACHIRAL |
logP: | 4.081 |
logD: | 4.081 |
logSw: | -4.2879 |
Hydrogen bond acceptors count: | 3 |
Polar surface area: | 30.908 |
InChI Key: | UGIXXHCCOCAOAP-UHFFFAOYSA-N |