8-[(2H-1,3-benzodioxol-5-yl)methoxy]-1-[(4-fluorophenyl)methyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[(2H-1,3-benzodioxol-5-yl)methoxy]-1-[(4-fluorophenyl)methyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-[(2H-1,3-benzodioxol-5-yl)methoxy]-1-[(4-fluorophenyl)methyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 5339-0013 |
| Compound Name: | 8-[(2H-1,3-benzodioxol-5-yl)methoxy]-1-[(4-fluorophenyl)methyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 438.41 |
| Molecular Formula: | C22 H19 F N4 O5 |
| Smiles: | CN1C(N(Cc2ccc(cc2)F)C(c2c1nc(n2C)OCc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5562 |
| logD: | 3.5562 |
| logSw: | -3.7258 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.392 |
| InChI Key: | QYRWTXIEOJIZOX-UHFFFAOYSA-N |