8-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
8-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 7282-5444 |
| Compound Name: | 8-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 343.34 |
| Molecular Formula: | C16 H17 N5 O4 |
| Smiles: | CN1C(c2c(nc(NCc3ccc4c(c3)OCO4)n2C)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6992 |
| logD: | 1.6958 |
| logSw: | -2.2527 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.043 |
| InChI Key: | DBUTWVGFZXXEMP-UHFFFAOYSA-N |