8-[(2-ethylpiperidin-1-yl)methyl]-7-heptyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[(2-ethylpiperidin-1-yl)methyl]-7-heptyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-[(2-ethylpiperidin-1-yl)methyl]-7-heptyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
Compound ID: | C470-0701 |
Compound Name: | 8-[(2-ethylpiperidin-1-yl)methyl]-7-heptyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
Molecular Weight: | 403.57 |
Molecular Formula: | C22 H37 N5 O2 |
Smiles: | CCCCCCCn1c2C(N(C)C(N(C)c2nc1CN1CCCCC1CC)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.7723 |
logD: | 4.4272 |
logSw: | -4.4978 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 47.475 |
InChI Key: | UBYVFNKEAOGKED-KRWDZBQOSA-N |