(azepan-1-yl)[3-chloro-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone
Chemical Structure Depiction of
(azepan-1-yl)[3-chloro-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone
(azepan-1-yl)[3-chloro-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone
Compound characteristics
| Compound ID: | 3209-1145 |
| Compound Name: | (azepan-1-yl)[3-chloro-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone |
| Molecular Weight: | 456.89 |
| Molecular Formula: | C21 H24 Cl F3 N4 O2 |
| Smiles: | COc1ccc(cc1)C1CC(C(F)(F)F)n2c(c(c(C(N3CCCCCC3)=O)n2)[Cl])N1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.7062 |
| logD: | 4.7062 |
| logSw: | -4.9272 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.584 |
| InChI Key: | BRRQZDUDQMAJCQ-UHFFFAOYSA-N |