7-benzyl-3-(2-methylphenyl)-1-[(oxolan-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-benzyl-3-(2-methylphenyl)-1-[(oxolan-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
7-benzyl-3-(2-methylphenyl)-1-[(oxolan-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
Compound ID: | V024-1136 |
Compound Name: | 7-benzyl-3-(2-methylphenyl)-1-[(oxolan-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
Molecular Weight: | 416.48 |
Molecular Formula: | C24 H24 N4 O3 |
Salt: | not_available |
Smiles: | Cc1ccccc1N1C(N(CC2CCCO2)C(c2c1ncn2Cc1ccccc1)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.8218 |
logD: | 2.8218 |
logSw: | -3.0202 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 50.628 |
InChI Key: | KPXSZJKSRFZFOE-UHFFFAOYSA-N |