N-(3-chloro-2-methylphenyl)-1-(3,6,7,8,9,10-hexahydro-4H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
Chemical Structure Depiction of
N-(3-chloro-2-methylphenyl)-1-(3,6,7,8,9,10-hexahydro-4H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
N-(3-chloro-2-methylphenyl)-1-(3,6,7,8,9,10-hexahydro-4H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
Compound characteristics
Compound ID: | E715-0232 |
Compound Name: | N-(3-chloro-2-methylphenyl)-1-(3,6,7,8,9,10-hexahydro-4H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide |
Molecular Weight: | 440.98 |
Molecular Formula: | C23 H29 Cl N6 O |
Smiles: | Cc1c(cccc1[Cl])NC(C1CCCN(C1)C1c2c(N=CN1)n1CCCCCc1n2)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 3.4999 |
logD: | 0.1047 |
logSw: | -3.7342 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 60.29 |
InChI Key: | FUHUCRPROBQEPZ-UHFFFAOYSA-N |