N-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
Chemical Structure Depiction of
N-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
N-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
Compound characteristics
Compound ID: | E715-0291 |
Compound Name: | N-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide |
Molecular Weight: | 499.01 |
Molecular Formula: | C25 H31 Cl N6 O3 |
Smiles: | CN(C(C1CCCN(C1)c1c2c(ncn1)n1CCCCCc1n2)=O)c1cc(c(cc1OC)OC)[Cl] |
Stereo: | RACEMIC MIXTURE |
logP: | 3.8841 |
logD: | 3.8783 |
logSw: | -4.394 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 66.858 |
InChI Key: | KCINLWFVYFGOFR-INIZCTEOSA-N |