7-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-8-methoxy-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-8-methoxy-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-8-methoxy-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8017-6310 |
| Compound Name: | 7-[(6-bromo-2H-1,3-benzodioxol-5-yl)methyl]-8-methoxy-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 423.22 |
| Molecular Formula: | C16 H15 Br N4 O5 |
| Smiles: | CN1C(c2c(nc(n2Cc2cc3c(cc2[Br])OCO3)OC)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0947 |
| logD: | 3.0947 |
| logSw: | -3.1305 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.664 |
| InChI Key: | WUUVMDNZJKMMHX-UHFFFAOYSA-N |