N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | E715-0475 |
| Compound Name: | N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide |
| Molecular Weight: | 487.65 |
| Molecular Formula: | C28 H37 N7 O |
| Smiles: | C1CCc2nc3c(ncnc3n2CC1)N1CCC(CC1)C(NCCCN1CCc2ccccc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4307 |
| logD: | 2.2266 |
| logSw: | -3.1999 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.495 |
| InChI Key: | HTYLSBPUQJCHNU-UHFFFAOYSA-N |