7-heptyl-1,3-dimethyl-8-(3-methylphenoxy)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-heptyl-1,3-dimethyl-8-(3-methylphenoxy)-3,7-dihydro-1H-purine-2,6-dione
7-heptyl-1,3-dimethyl-8-(3-methylphenoxy)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C406-0096 |
| Compound Name: | 7-heptyl-1,3-dimethyl-8-(3-methylphenoxy)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 384.48 |
| Molecular Formula: | C21 H28 N4 O3 |
| Smiles: | CCCCCCCn1c2C(N(C)C(N(C)c2nc1Oc1cccc(C)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7907 |
| logD: | 5.7907 |
| logSw: | -5.2373 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.002 |
| InChI Key: | CDJBYYUKTBRTCS-UHFFFAOYSA-N |