3-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-3,6,7,8,9,10-hexahydro-4H-azepino[1,2-e]purin-4-one
Chemical Structure Depiction of
3-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-3,6,7,8,9,10-hexahydro-4H-azepino[1,2-e]purin-4-one
3-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-3,6,7,8,9,10-hexahydro-4H-azepino[1,2-e]purin-4-one
Compound characteristics
| Compound ID: | E714-0321 |
| Compound Name: | 3-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-3,6,7,8,9,10-hexahydro-4H-azepino[1,2-e]purin-4-one |
| Molecular Weight: | 474.48 |
| Molecular Formula: | C23 H25 F3 N6 O2 |
| Smiles: | C1CCc2nc3C(N(CC(N4CCN(CC4)c4cccc(c4)C(F)(F)F)=O)C=Nc3n2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3693 |
| logD: | 2.3685 |
| logSw: | -2.7751 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.781 |
| InChI Key: | IAXZAOGEHOCIFG-UHFFFAOYSA-N |