8-(2-chlorophenoxy)-1,3-dimethyl-7-octyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(2-chlorophenoxy)-1,3-dimethyl-7-octyl-3,7-dihydro-1H-purine-2,6-dione
8-(2-chlorophenoxy)-1,3-dimethyl-7-octyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C406-0211 |
| Compound Name: | 8-(2-chlorophenoxy)-1,3-dimethyl-7-octyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 418.92 |
| Molecular Formula: | C21 H27 Cl N4 O3 |
| Smiles: | CCCCCCCCn1c2C(N(C)C(N(C)c2nc1Oc1ccccc1[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1703 |
| logD: | 6.1702 |
| logSw: | -5.9999 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.089 |
| InChI Key: | SVZYNMXHZCANCE-UHFFFAOYSA-N |