8-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-7-benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-7-benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-7-benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | Y600-2764 |
| Compound Name: | 8-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-7-benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 488.55 |
| Molecular Formula: | C26 H28 N6 O4 |
| Smiles: | CN1C(c2c(nc(N3CCN(CC3)Cc3ccc4c(c3)OCO4)n2Cc2ccccc2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7267 |
| logD: | 1.927 |
| logSw: | -3.9067 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.353 |
| InChI Key: | RECHALZWBADNAZ-UHFFFAOYSA-N |