8-(4-butanoylphenoxy)-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(4-butanoylphenoxy)-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione
8-(4-butanoylphenoxy)-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8015-3136 |
| Compound Name: | 8-(4-butanoylphenoxy)-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 412.49 |
| Molecular Formula: | C22 H28 N4 O4 |
| Smiles: | CCCC(c1ccc(cc1)Oc1nc2c(C(N(C)C(N2C)=O)=O)n1CCC(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7892 |
| logD: | 4.7892 |
| logSw: | -4.4362 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.249 |
| InChI Key: | PPZYKOGCWCSYNB-UHFFFAOYSA-N |