(azepan-1-yl)[rel-(5R,7S)-5-(3-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone
Chemical Structure Depiction of
(azepan-1-yl)[rel-(5R,7S)-5-(3-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone
(azepan-1-yl)[rel-(5R,7S)-5-(3-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone
Compound characteristics
| Compound ID: | 7213-0111 |
| Compound Name: | (azepan-1-yl)[rel-(5R,7S)-5-(3-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone |
| Molecular Weight: | 422.45 |
| Molecular Formula: | C21 H25 F3 N4 O2 |
| Smiles: | COc1cccc(c1)[C@H]1C[C@@H](C(F)(F)F)n2c(c(cn2)C(N2CCCCCC2)=O)N1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.0181 |
| logD: | 4.0181 |
| logSw: | -4.0888 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.037 |
| InChI Key: | DIJVYYCCNRBEMD-QZTJIDSGSA-N |