N-[(pyridin-3-yl)methyl]-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-[(pyridin-3-yl)methyl]-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide
N-[(pyridin-3-yl)methyl]-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | E715-0429 |
| Compound Name: | N-[(pyridin-3-yl)methyl]-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide |
| Molecular Weight: | 405.5 |
| Molecular Formula: | C22 H27 N7 O |
| Smiles: | C1CCc2nc3c(ncnc3n2CC1)N1CCC(CC1)C(NCc1cccnc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.711 |
| logD: | 1.7052 |
| logSw: | -1.3233 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.527 |
| InChI Key: | ZINVXAXYGDDWPS-UHFFFAOYSA-N |