8-(hexylamino)-1,3-dimethyl-7-[(3-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(hexylamino)-1,3-dimethyl-7-[(3-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
8-(hexylamino)-1,3-dimethyl-7-[(3-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 4236-0930 |
| Compound Name: | 8-(hexylamino)-1,3-dimethyl-7-[(3-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 383.49 |
| Molecular Formula: | C21 H29 N5 O2 |
| Smiles: | CCCCCCNc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.1858 |
| logD: | 5.1857 |
| logSw: | -4.7879 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.959 |
| InChI Key: | WQVJVZZMDDKGMG-UHFFFAOYSA-N |