N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | E715-0456 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide |
| Molecular Weight: | 448.52 |
| Molecular Formula: | C24 H28 N6 O3 |
| Smiles: | C1CCc2nc3c(ncnc3n2CC1)N1CCC(CC1)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8518 |
| logD: | 2.846 |
| logSw: | -3.1628 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.124 |
| InChI Key: | YDZUQHDTOYENNS-UHFFFAOYSA-N |