1-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
1-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 7740-0110 |
| Compound Name: | 1-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 393.19 |
| Molecular Formula: | C15 H13 Br N4 O4 |
| Smiles: | CN1C(N(Cc2cc3c(cc2[Br])OCO3)C(c2c1ncn2C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9017 |
| logD: | 1.9017 |
| logSw: | -2.1489 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.866 |
| InChI Key: | QEDNSUQGIBMNCV-UHFFFAOYSA-N |