[rel-(5R,7S)-3-bromo-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl](3,4-dihydroquinolin-1(2H)-yl)methanone
Chemical Structure Depiction of
[rel-(5R,7S)-3-bromo-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl](3,4-dihydroquinolin-1(2H)-yl)methanone
[rel-(5R,7S)-3-bromo-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl](3,4-dihydroquinolin-1(2H)-yl)methanone
Compound characteristics
| Compound ID: | 3209-0563 |
| Compound Name: | [rel-(5R,7S)-3-bromo-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl](3,4-dihydroquinolin-1(2H)-yl)methanone |
| Molecular Weight: | 511.36 |
| Molecular Formula: | C21 H18 Br F3 N4 O S |
| Smiles: | C1Cc2ccccc2N(C1)C(c1c(c2N[C@H](C[C@@H](C(F)(F)F)n2n1)c1cccs1)[Br])=O |
| Stereo: | RELATIVE |
| logP: | 5.1068 |
| logD: | 5.1068 |
| logSw: | -5.1934 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.392 |
| InChI Key: | GRSLXVRDDQYUPO-CZUORRHYSA-N |