8-(4-benzylpiperazin-1-yl)-7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(4-benzylpiperazin-1-yl)-7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-(4-benzylpiperazin-1-yl)-7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 3238-0508 |
| Compound Name: | 8-(4-benzylpiperazin-1-yl)-7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 513.43 |
| Molecular Formula: | C25 H26 Cl2 N6 O2 |
| Smiles: | CN1C(c2c(nc(N3CCN(CC3)Cc3ccccc3)n2Cc2ccc(c(c2)[Cl])[Cl])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1727 |
| logD: | 4.4698 |
| logSw: | -5.6717 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.238 |
| InChI Key: | CIFGDISIZBUNJX-UHFFFAOYSA-N |