1,3-dimethyl-7-(2-{3-[2-(4-methylphenoxy)ethyl]pyrrolidin-1-yl}-2-oxoethyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1,3-dimethyl-7-(2-{3-[2-(4-methylphenoxy)ethyl]pyrrolidin-1-yl}-2-oxoethyl)-3,7-dihydro-1H-purine-2,6-dione
1,3-dimethyl-7-(2-{3-[2-(4-methylphenoxy)ethyl]pyrrolidin-1-yl}-2-oxoethyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
Compound ID: | S544-1472 |
Compound Name: | 1,3-dimethyl-7-(2-{3-[2-(4-methylphenoxy)ethyl]pyrrolidin-1-yl}-2-oxoethyl)-3,7-dihydro-1H-purine-2,6-dione |
Molecular Weight: | 425.49 |
Molecular Formula: | C22 H27 N5 O4 |
Smiles: | Cc1ccc(cc1)OCCC1CCN(C1)C(Cn1cnc2c1C(N(C)C(N2C)=O)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.065 |
logD: | 2.065 |
logSw: | -2.4379 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 66.799 |
InChI Key: | BJXZYGLSDKPFSA-INIZCTEOSA-N |