N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
Compound characteristics
| Compound ID: | E715-0101 |
| Compound Name: | N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide |
| Molecular Weight: | 473.62 |
| Molecular Formula: | C27 H35 N7 O |
| Smiles: | C1CCc2nc3c(ncnc3n2CC1)N1CCCC(C1)C(NCCN1CCc2ccccc2C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1525 |
| logD: | 2.6601 |
| logSw: | -2.987 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.428 |
| InChI Key: | HNONIQNHQYIOTR-QFIPXVFZSA-N |