8-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-1-benzyl-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-1-benzyl-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-1-benzyl-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 5339-0235 |
| Compound Name: | 8-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-1-benzyl-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 419.44 |
| Molecular Formula: | C22 H21 N5 O4 |
| Smiles: | CN1C(N(Cc2ccccc2)C(c2c1nc(NCc1ccc3c(c1)OCO3)n2C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0216 |
| logD: | 3.0187 |
| logSw: | -3.2906 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.006 |
| InChI Key: | MLGSNLKHYAETAW-UHFFFAOYSA-N |