8,8'-[1,4-phenylenebis(oxy)]bis[1,3-dimethyl-7-(propan-2-yl)-3,7-dihydro-1H-purine-2,6-dione]
Chemical Structure Depiction of
8,8'-[1,4-phenylenebis(oxy)]bis[1,3-dimethyl-7-(propan-2-yl)-3,7-dihydro-1H-purine-2,6-dione]
8,8'-[1,4-phenylenebis(oxy)]bis[1,3-dimethyl-7-(propan-2-yl)-3,7-dihydro-1H-purine-2,6-dione]
Compound characteristics
| Compound ID: | C406-0157 |
| Compound Name: | 8,8'-[1,4-phenylenebis(oxy)]bis[1,3-dimethyl-7-(propan-2-yl)-3,7-dihydro-1H-purine-2,6-dione] |
| Molecular Weight: | 550.57 |
| Molecular Formula: | C26 H30 N8 O6 |
| Smiles: | CC(C)n1c2C(N(C)C(N(C)c2nc1Oc1ccc(cc1)Oc1nc2c(C(N(C)C(N2C)=O)=O)n1C(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0758 |
| logD: | 4.0757 |
| logSw: | -4.1989 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 101.96 |
| InChI Key: | KTWOWJFXMBMPRS-UHFFFAOYSA-N |