[1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidin-3-yl]{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methanone
Chemical Structure Depiction of
[1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidin-3-yl]{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methanone
[1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidin-3-yl]{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methanone
Compound characteristics
| Compound ID: | E715-0303 |
| Compound Name: | [1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidin-3-yl]{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methanone |
| Molecular Weight: | 527.59 |
| Molecular Formula: | C27 H32 F3 N7 O |
| Smiles: | C1CCc2nc3c(ncnc3n2CC1)N1CCCC(C1)C(N1CCN(CC1)c1cccc(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0789 |
| logD: | 4.0731 |
| logSw: | -4.2974 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 56.438 |
| InChI Key: | HEAQQBZOMGRXMG-IBGZPJMESA-N |