8-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8019-4926 |
| Compound Name: | 8-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 329.31 |
| Molecular Formula: | C15 H15 N5 O4 |
| Smiles: | CN1C(c2c(nc(NCc3ccc4c(c3)OCO4)[nH]2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3576 |
| logD: | 1.3557 |
| logSw: | -2.0579 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.559 |
| InChI Key: | ZXRHOCUIECSLOL-UHFFFAOYSA-N |