{4-[(2H-1,3-benzodioxol-5-yl)methyl]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-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidin-3-yl]methanone
{4-[(2H-1,3-benzodioxol-5-yl)methyl]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: | E715-0261 |
| Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidin-3-yl]methanone |
| Molecular Weight: | 517.63 |
| Molecular Formula: | C28 H35 N7 O3 |
| Smiles: | C1CCc2nc3c(ncnc3n2CC1)N1CCCC(C1)C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8304 |
| logD: | 2.3621 |
| logSw: | -3.0352 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.833 |
| InChI Key: | GDZCUWPVMKHNEI-NRFANRHFSA-N |