8-[(4-benzylpiperazin-1-yl)methyl]-3-methyl-7-[(3-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[(4-benzylpiperazin-1-yl)methyl]-3-methyl-7-[(3-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
8-[(4-benzylpiperazin-1-yl)methyl]-3-methyl-7-[(3-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C692-0252 |
| Compound Name: | 8-[(4-benzylpiperazin-1-yl)methyl]-3-methyl-7-[(3-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 458.56 |
| Molecular Formula: | C26 H30 N6 O2 |
| Smiles: | Cc1cccc(Cn2c3C(NC(N(C)c3nc2CN2CCN(CC2)Cc2ccccc2)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.2851 |
| logD: | 3.0136 |
| logSw: | -3.473 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.868 |
| InChI Key: | QUYHMIYPKXWPPN-UHFFFAOYSA-N |