8-[(2H-1,3-benzodioxol-5-yl)oxy]-7-[(2,4-dichlorophenyl)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-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-[(2H-1,3-benzodioxol-5-yl)oxy]-7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 4094-0244 |
| Compound Name: | 8-[(2H-1,3-benzodioxol-5-yl)oxy]-7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 475.29 |
| Molecular Formula: | C21 H16 Cl2 N4 O5 |
| Smiles: | CN1C(c2c(nc(n2Cc2ccc(cc2[Cl])[Cl])Oc2ccc3c(c2)OCO3)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0556 |
| logD: | 5.0556 |
| logSw: | -5.2442 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.868 |
| InChI Key: | GJSAJBYMOQBEHK-UHFFFAOYSA-N |