N-[2-(4-chlorophenyl)ethyl]-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-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-4-carboxamide
N-[2-(4-chlorophenyl)ethyl]-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | E715-0457 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide |
| Molecular Weight: | 452.99 |
| Molecular Formula: | C24 H29 Cl N6 O |
| Smiles: | C1CCc2nc3c(ncnc3n2CC1)N1CCC(CC1)C(NCCc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.707 |
| logD: | 3.7012 |
| logSw: | -4.1213 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.85 |
| InChI Key: | YTFPEJWUUCOYIL-UHFFFAOYSA-N |