8-(2-chlorophenoxy)-7-heptyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(2-chlorophenoxy)-7-heptyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-(2-chlorophenoxy)-7-heptyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C406-0217 |
| Compound Name: | 8-(2-chlorophenoxy)-7-heptyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 404.9 |
| Molecular Formula: | C20 H25 Cl N4 O3 |
| Smiles: | CCCCCCCn1c2C(N(C)C(N(C)c2nc1Oc1ccccc1[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6743 |
| logD: | 5.6743 |
| logSw: | -5.7859 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.089 |
| InChI Key: | SWSWRUMWCVCUJM-UHFFFAOYSA-N |