8-[(2H-1,3-benzodioxol-5-yl)oxy]-7-[(2-chloro-4-fluorophenyl)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-[(2-chloro-4-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-[(2H-1,3-benzodioxol-5-yl)oxy]-7-[(2-chloro-4-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8011-6994 |
| Compound Name: | 8-[(2H-1,3-benzodioxol-5-yl)oxy]-7-[(2-chloro-4-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 458.83 |
| Molecular Formula: | C21 H16 Cl F N4 O5 |
| Smiles: | CN1C(c2c(nc(n2Cc2ccc(cc2[Cl])F)Oc2ccc3c(c2)OCO3)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.547 |
| logD: | 4.547 |
| logSw: | -4.7016 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.868 |
| InChI Key: | JRICKMKBJFAAGX-UHFFFAOYSA-N |