4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-7,8,9,10-tetrahydro-6H-azepino[1,2-e]purine
Chemical Structure Depiction of
4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-7,8,9,10-tetrahydro-6H-azepino[1,2-e]purine
4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-7,8,9,10-tetrahydro-6H-azepino[1,2-e]purine
Compound characteristics
| Compound ID: | E679-0750 |
| Compound Name: | 4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}-7,8,9,10-tetrahydro-6H-azepino[1,2-e]purine |
| Molecular Weight: | 416.45 |
| Molecular Formula: | C21 H23 F3 N6 |
| Smiles: | C1CCc2nc3c(ncnc3n2CC1)N1CCN(CC1)c1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.3704 |
| logD: | 4.3646 |
| logSw: | -4.4005 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 39.856 |
| InChI Key: | FYHBIYYCOLYFAC-UHFFFAOYSA-N |