8-[(4-benzylpiperazin-1-yl)methyl]-1,3-dimethyl-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[(4-benzylpiperazin-1-yl)methyl]-1,3-dimethyl-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
8-[(4-benzylpiperazin-1-yl)methyl]-1,3-dimethyl-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0328 |
| Compound Name: | 8-[(4-benzylpiperazin-1-yl)methyl]-1,3-dimethyl-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 472.59 |
| Molecular Formula: | C27 H32 N6 O2 |
| Smiles: | Cc1ccc(Cn2c3C(N(C)C(N(C)c3nc2CN2CCN(CC2)Cc2ccccc2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.4774 |
| logD: | 3.2079 |
| logSw: | -3.4044 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.953 |
| InChI Key: | FGDNVECTQNDFFL-UHFFFAOYSA-N |