N-(2H-1,3-benzodioxol-5-yl)-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
Compound characteristics
| Compound ID: | E715-0228 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide |
| Molecular Weight: | 434.5 |
| Molecular Formula: | C23 H26 N6 O3 |
| Smiles: | C1CCc2nc3c(ncnc3n2CC1)N1CCCC(C1)C(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.928 |
| logD: | 2.922 |
| logSw: | -3.2846 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.736 |
| InChI Key: | FLMLBSZRMPNITC-HNNXBMFYSA-N |