8-[(4-benzylpiperazin-1-yl)methyl]-7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[(4-benzylpiperazin-1-yl)methyl]-7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-[(4-benzylpiperazin-1-yl)methyl]-7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0423 |
| Compound Name: | 8-[(4-benzylpiperazin-1-yl)methyl]-7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 527.45 |
| Molecular Formula: | C26 H28 Cl2 N6 O2 |
| Smiles: | CN1C(c2c(nc(CN3CCN(CC3)Cc3ccccc3)n2Cc2ccc(cc2[Cl])[Cl])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4251 |
| logD: | 4.1556 |
| logSw: | -4.4262 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.953 |
| InChI Key: | MMKJCCPERLNQNZ-UHFFFAOYSA-N |