8-[(4-benzylpiperazin-1-yl)methyl]-3-methyl-7-(3-oxobutan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[(4-benzylpiperazin-1-yl)methyl]-3-methyl-7-(3-oxobutan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
8-[(4-benzylpiperazin-1-yl)methyl]-3-methyl-7-(3-oxobutan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C692-0627 |
| Compound Name: | 8-[(4-benzylpiperazin-1-yl)methyl]-3-methyl-7-(3-oxobutan-2-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 424.5 |
| Molecular Formula: | C22 H28 N6 O3 |
| Smiles: | CC(C(C)=O)n1c2C(NC(N(C)c2nc1CN1CCN(CC1)Cc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0156 |
| logD: | 0.7434 |
| logSw: | -2.0278 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.661 |
| InChI Key: | DHCYRVOGPNWOPF-HNNXBMFYSA-N |