N-[2-(4-chlorophenyl)ethyl]-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
Chemical Structure Depiction of
N-[2-(4-chlorophenyl)ethyl]-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
N-[2-(4-chlorophenyl)ethyl]-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
Compound characteristics
| Compound ID: | E715-0074 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide |
| Molecular Weight: | 452.99 |
| Molecular Formula: | C24 H29 Cl N6 O |
| Smiles: | C1CCc2nc3c(ncnc3n2CC1)N1CCCC(C1)C(NCCc1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5521 |
| logD: | 3.5463 |
| logSw: | -3.7325 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.784 |
| InChI Key: | XPKHBAJUIHAXPN-SFHVURJKSA-N |