7-[(2-chloro-5-methoxyphenyl)methyl]-1,3-dimethyl-8-{[(oxolan-2-yl)methyl]amino}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2-chloro-5-methoxyphenyl)methyl]-1,3-dimethyl-8-{[(oxolan-2-yl)methyl]amino}-3,7-dihydro-1H-purine-2,6-dione
7-[(2-chloro-5-methoxyphenyl)methyl]-1,3-dimethyl-8-{[(oxolan-2-yl)methyl]amino}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
Compound ID: | D114-0046 |
Compound Name: | 7-[(2-chloro-5-methoxyphenyl)methyl]-1,3-dimethyl-8-{[(oxolan-2-yl)methyl]amino}-3,7-dihydro-1H-purine-2,6-dione |
Molecular Weight: | 433.89 |
Molecular Formula: | C20 H24 Cl N5 O4 |
Smiles: | CN1C(c2c(nc(NCC3CCCO3)n2Cc2cc(ccc2[Cl])OC)N(C)C1=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.1228 |
logD: | 3.1228 |
logSw: | -3.5371 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 71.045 |
InChI Key: | BGXGYWNAPXYVHR-CQSZACIVSA-N |