[2-(pyridin-4-yl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl][4-(trifluoromethoxy)phenyl]methanone
Chemical Structure Depiction of
[2-(pyridin-4-yl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl][4-(trifluoromethoxy)phenyl]methanone
[2-(pyridin-4-yl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl][4-(trifluoromethoxy)phenyl]methanone
Compound characteristics
| Compound ID: | P221-0089 |
| Compound Name: | [2-(pyridin-4-yl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl][4-(trifluoromethoxy)phenyl]methanone |
| Molecular Weight: | 402.37 |
| Molecular Formula: | C20 H17 F3 N4 O2 |
| Smiles: | C1CN(Cc2cc(c3ccncc3)nn2C1)C(c1ccc(cc1)OC(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1893 |
| logD: | 3.1883 |
| logSw: | -3.2959 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.782 |
| InChI Key: | QLQUBFGQSJIDDI-UHFFFAOYSA-N |