8-{[(furan-2-yl)methyl]amino}-1,3-dimethyl-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[(furan-2-yl)methyl]amino}-1,3-dimethyl-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
8-{[(furan-2-yl)methyl]amino}-1,3-dimethyl-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 3238-0069 |
| Compound Name: | 8-{[(furan-2-yl)methyl]amino}-1,3-dimethyl-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 379.42 |
| Molecular Formula: | C20 H21 N5 O3 |
| Smiles: | Cc1ccc(Cn2c3C(N(C)C(N(C)c3nc2NCc2ccco2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7387 |
| logD: | 3.7385 |
| logSw: | -3.8719 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.595 |
| InChI Key: | JLIYRAVCHMXEQJ-UHFFFAOYSA-N |