8-(4-benzoylpiperazin-1-yl)-7-benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(4-benzoylpiperazin-1-yl)-7-benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-(4-benzoylpiperazin-1-yl)-7-benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | Y600-3503 |
| Compound Name: | 8-(4-benzoylpiperazin-1-yl)-7-benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 458.52 |
| Molecular Formula: | C25 H26 N6 O3 |
| Smiles: | CN1C(c2c(nc(N3CCN(CC3)C(c3ccccc3)=O)n2Cc2ccccc2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2254 |
| logD: | 3.2252 |
| logSw: | -3.1913 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.154 |
| InChI Key: | NRIIJAUEJQFCPZ-UHFFFAOYSA-N |