1-[2-(pyridin-4-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-(pyridin-4-yl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]-2-[3-(trifluoromethyl)phenyl]ethan-1-one
1-[2-(pyridin-4-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: | P221-0017 |
| Compound Name: | 1-[2-(pyridin-4-yl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]-2-[3-(trifluoromethyl)phenyl]ethan-1-one |
| Molecular Weight: | 400.4 |
| Molecular Formula: | C21 H19 F3 N4 O |
| Smiles: | C1CN(Cc2cc(c3ccncc3)nn2C1)C(Cc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1679 |
| logD: | 3.167 |
| logSw: | -3.0327 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 39.318 |
| InChI Key: | PHKOGSALZLDHGT-UHFFFAOYSA-N |