N-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
Chemical Structure Depiction of
N-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
N-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
Compound characteristics
Compound ID: | E715-0163 |
Compound Name: | N-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide |
Molecular Weight: | 491.98 |
Molecular Formula: | C25 H26 Cl N7 O2 |
Smiles: | C1CCc2nc3c(ncnc3n2CC1)N1CCCC(C1)C(Nc1cc(c2cccc(c2)[Cl])no1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.438 |
logD: | 4.431 |
logSw: | -4.5351 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 81.901 |
InChI Key: | WBCKMZWHAOYYJN-KRWDZBQOSA-N |