7,7'-(ethane-1,2-diyl)bis(8-bromo-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione)
Chemical Structure Depiction of
7,7'-(ethane-1,2-diyl)bis(8-bromo-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione)
7,7'-(ethane-1,2-diyl)bis(8-bromo-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione)
Compound characteristics
| Compound ID: | 8019-0456 |
| Compound Name: | 7,7'-(ethane-1,2-diyl)bis(8-bromo-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione) |
| Molecular Weight: | 544.16 |
| Molecular Formula: | C16 H16 Br2 N8 O4 |
| Smiles: | CN1C(c2c(nc(n2CCn2c3C(N(C)C(N(C)c3nc2[Br])=O)=O)[Br])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9868 |
| logD: | 1.9868 |
| logSw: | -1.8778 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 88.598 |
| InChI Key: | ZZWMZRAPENZOOI-UHFFFAOYSA-N |