7-(2-ethylhexyl)-1,3-dimethyl-8-phenoxy-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-(2-ethylhexyl)-1,3-dimethyl-8-phenoxy-3,7-dihydro-1H-purine-2,6-dione
7-(2-ethylhexyl)-1,3-dimethyl-8-phenoxy-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C406-0111 |
| Compound Name: | 7-(2-ethylhexyl)-1,3-dimethyl-8-phenoxy-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 384.48 |
| Molecular Formula: | C21 H28 N4 O3 |
| Smiles: | CCCCC(CC)Cn1c2C(N(C)C(N(C)c2nc1Oc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8323 |
| logD: | 5.8323 |
| logSw: | -5.6495 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.024 |
| InChI Key: | FQOIVOOQSOITJA-HNNXBMFYSA-N |