8-methoxy-1,3-dimethyl-7-[(2-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-methoxy-1,3-dimethyl-7-[(2-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
8-methoxy-1,3-dimethyl-7-[(2-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8016-0886 |
| Compound Name: | 8-methoxy-1,3-dimethyl-7-[(2-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 314.34 |
| Molecular Formula: | C16 H18 N4 O3 |
| Smiles: | Cc1ccccc1Cn1c2C(N(C)C(N(C)c2nc1OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2201 |
| logD: | 3.2201 |
| logSw: | -3.1104 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.548 |
| InChI Key: | SIAQZHZICPICGQ-UHFFFAOYSA-N |