3-methyl-8-[(4-methylpiperazin-1-yl)methyl]-7-(3-oxobutan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-methyl-8-[(4-methylpiperazin-1-yl)methyl]-7-(3-oxobutan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
3-methyl-8-[(4-methylpiperazin-1-yl)methyl]-7-(3-oxobutan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C692-0625 |
| Compound Name: | 3-methyl-8-[(4-methylpiperazin-1-yl)methyl]-7-(3-oxobutan-2-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 348.4 |
| Molecular Formula: | C16 H24 N6 O3 |
| Smiles: | CC(C(C)=O)n1c2C(NC(N(C)c2nc1CN1CCN(C)CC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.4827 |
| logD: | -1.4537 |
| logSw: | -1.1685 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.598 |
| InChI Key: | JUATXGKHYVAHTO-JTQLQIEISA-N |