8-[(4-benzylpiperazin-1-yl)methyl]-7-[(3-chlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[(4-benzylpiperazin-1-yl)methyl]-7-[(3-chlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-[(4-benzylpiperazin-1-yl)methyl]-7-[(3-chlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0399 |
| Compound Name: | 8-[(4-benzylpiperazin-1-yl)methyl]-7-[(3-chlorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 493.01 |
| Molecular Formula: | C26 H29 Cl N6 O2 |
| Smiles: | CN1C(c2c(nc(CN3CCN(CC3)Cc3ccccc3)n2Cc2cccc(c2)[Cl])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7095 |
| logD: | 3.44 |
| logSw: | -3.9699 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.953 |
| InChI Key: | FKWNQOGVFIRNIX-UHFFFAOYSA-N |