7-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
7-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8013-6901 |
| Compound Name: | 7-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 344.32 |
| Molecular Formula: | C16 H16 N4 O5 |
| Smiles: | CN1C(NC(c2c1ncn2CC(c1ccc(c(c1)OC)OC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.3324 |
| logD: | 0.3316 |
| logSw: | -2.2011 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.382 |
| InChI Key: | QHRNQGVFQZRDKO-UHFFFAOYSA-N |