1-(3-oxo-3,4-dihydroquinoxalin-1(2H)-yl)-4-{2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl}butane-1,4-dione
Chemical Structure Depiction of
1-(3-oxo-3,4-dihydroquinoxalin-1(2H)-yl)-4-{2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl}butane-1,4-dione
1-(3-oxo-3,4-dihydroquinoxalin-1(2H)-yl)-4-{2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl}butane-1,4-dione
Compound characteristics
| Compound ID: | P218-3171 |
| Compound Name: | 1-(3-oxo-3,4-dihydroquinoxalin-1(2H)-yl)-4-{2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl}butane-1,4-dione |
| Molecular Weight: | 511.5 |
| Molecular Formula: | C26 H24 F3 N5 O3 |
| Smiles: | C1CN(Cc2cc(c3ccc(cc3)C(F)(F)F)nn2C1)C(CCC(N1CC(Nc2ccccc12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1106 |
| logD: | 3.1093 |
| logSw: | -3.4626 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.78 |
| InChI Key: | VAIZHGRFMPOCQD-UHFFFAOYSA-N |