8-[benzyl(methyl)amino]-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[benzyl(methyl)amino]-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
8-[benzyl(methyl)amino]-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
Compound ID: | 7706-0431 |
Compound Name: | 8-[benzyl(methyl)amino]-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
Molecular Weight: | 449.51 |
Molecular Formula: | C24 H27 N5 O4 |
Smiles: | Cc1cccc(c1)OCC(Cn1c2C(NC(N(C)c2nc1N(C)Cc1ccccc1)=O)=O)O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.0172 |
logD: | 4.0171 |
logSw: | -4.159 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 78.232 |
InChI Key: | CJZPAUFXEUMAKP-SFHVURJKSA-N |