3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydro-1H-purine-2,6-dione
3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 2272-1185 |
| Compound Name: | 3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 278.31 |
| Molecular Formula: | C13 H18 N4 O3 |
| Smiles: | CC(CCCCN1C(c2c(ncn2C)N(C)C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.0619 |
| logD: | -0.0619 |
| logSw: | -0.6308 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.336 |
| InChI Key: | BYPFEZZEUUWMEJ-UHFFFAOYSA-N |