8-(4-fluorophenoxy)-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(4-fluorophenoxy)-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione
8-(4-fluorophenoxy)-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8016-0628 |
| Compound Name: | 8-(4-fluorophenoxy)-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 360.39 |
| Molecular Formula: | C18 H21 F N4 O3 |
| Smiles: | CC(C)CCn1c2C(N(C)C(N(C)c2nc1Oc1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1973 |
| logD: | 4.1973 |
| logSw: | -4.1258 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.002 |
| InChI Key: | JYPKMHKZDRUMHB-UHFFFAOYSA-N |