N-[(4-fluorophenyl)methyl]-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide
N-[(4-fluorophenyl)methyl]-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide
Compound characteristics
Compound ID: | E715-0415 |
Compound Name: | N-[(4-fluorophenyl)methyl]-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide |
Molecular Weight: | 422.5 |
Molecular Formula: | C23 H27 F N6 O |
Smiles: | C1CCc2nc3c(ncnc3n2CC1)N1CCC(CC1)C(NCc1ccc(cc1)F)=O |
Stereo: | ACHIRAL |
logP: | 2.9678 |
logD: | 2.962 |
logSw: | -3.0749 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 61.009 |
InChI Key: | DUDURQBMMBEOKP-UHFFFAOYSA-N |