1,3-dimethyl-7-octyl-8-phenoxy-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1,3-dimethyl-7-octyl-8-phenoxy-3,7-dihydro-1H-purine-2,6-dione
1,3-dimethyl-7-octyl-8-phenoxy-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C406-0105 |
| Compound Name: | 1,3-dimethyl-7-octyl-8-phenoxy-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 384.48 |
| Molecular Formula: | C21 H28 N4 O3 |
| Smiles: | CCCCCCCCn1c2C(N(C)C(N(C)c2nc1Oc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8529 |
| logD: | 5.8529 |
| logSw: | -5.4 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.002 |
| InChI Key: | BFLDAJGOFIGUJA-UHFFFAOYSA-N |