(3,4-dihydroisoquinolin-2(1H)-yl)[5-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
Chemical Structure Depiction of
(3,4-dihydroisoquinolin-2(1H)-yl)[5-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
(3,4-dihydroisoquinolin-2(1H)-yl)[5-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
Compound characteristics
| Compound ID: | K061-0977 |
| Compound Name: | (3,4-dihydroisoquinolin-2(1H)-yl)[5-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone |
| Molecular Weight: | 467.41 |
| Molecular Formula: | C23 H16 F3 N5 O3 |
| Smiles: | C1CN(Cc2ccccc12)C(c1cc2nc(cc(C(F)(F)F)n2n1)c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0638 |
| logD: | 5.0637 |
| logSw: | -5.1064 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.089 |
| InChI Key: | JJJGXICJWHMTIF-UHFFFAOYSA-N |