8-[(4-benzylpiperazin-1-yl)methyl]-1,3-dimethyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[(4-benzylpiperazin-1-yl)methyl]-1,3-dimethyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
8-[(4-benzylpiperazin-1-yl)methyl]-1,3-dimethyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0761 |
| Compound Name: | 8-[(4-benzylpiperazin-1-yl)methyl]-1,3-dimethyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 472.59 |
| Molecular Formula: | C27 H32 N6 O2 |
| Smiles: | CN1C(c2c(nc(CN3CCN(CC3)Cc3ccccc3)n2CCc2ccccc2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2035 |
| logD: | 2.934 |
| logSw: | -3.2067 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.932 |
| InChI Key: | CSQUSVMYYLBCEA-UHFFFAOYSA-N |