[4-(4-nitrophenyl)piperazin-1-yl][1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidin-3-yl]methanone
Chemical Structure Depiction of
[4-(4-nitrophenyl)piperazin-1-yl][1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidin-3-yl]methanone
[4-(4-nitrophenyl)piperazin-1-yl][1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidin-3-yl]methanone
Compound characteristics
| Compound ID: | C066-4206 |
| Compound Name: | [4-(4-nitrophenyl)piperazin-1-yl][1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidin-3-yl]methanone |
| Molecular Weight: | 504.59 |
| Molecular Formula: | C26 H32 N8 O3 |
| Smiles: | C1CCc2nc3c(ncnc3n2CC1)N1CCCC(C1)C(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3254 |
| logD: | 3.3196 |
| logSw: | -3.4104 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 89.819 |
| InChI Key: | XSCWFQKWVZYBCM-IBGZPJMESA-N |