8-[(2H-1,3-benzodioxol-5-yl)oxy]-7-[(4-chlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[(2H-1,3-benzodioxol-5-yl)oxy]-7-[(4-chlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-[(2H-1,3-benzodioxol-5-yl)oxy]-7-[(4-chlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
Compound ID: | 5339-0360 |
Compound Name: | 8-[(2H-1,3-benzodioxol-5-yl)oxy]-7-[(4-chlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
Molecular Weight: | 440.84 |
Molecular Formula: | C21 H17 Cl N4 O5 |
Smiles: | CN1C(c2c(nc(n2Cc2ccc(cc2)[Cl])Oc2ccc3c(c2)OCO3)N(C)C1=O)=O |
Stereo: | ACHIRAL |
logP: | 4.2792 |
logD: | 4.2792 |
logSw: | -4.695 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 66.868 |
InChI Key: | MGCHPUBURHMNSG-UHFFFAOYSA-N |