8-{[benzyl(methyl)amino]methyl}-1,3-dimethyl-7-(3-oxobutan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[benzyl(methyl)amino]methyl}-1,3-dimethyl-7-(3-oxobutan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
8-{[benzyl(methyl)amino]methyl}-1,3-dimethyl-7-(3-oxobutan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 7706-0678 |
| Compound Name: | 8-{[benzyl(methyl)amino]methyl}-1,3-dimethyl-7-(3-oxobutan-2-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 383.45 |
| Molecular Formula: | C20 H25 N5 O3 |
| Smiles: | CC(C(C)=O)n1c2C(N(C)C(N(C)c2nc1CN(C)Cc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8297 |
| logD: | 1.8098 |
| logSw: | -1.9038 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.319 |
| InChI Key: | YQSMFRPZJFHWTK-ZDUSSCGKSA-N |