8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3-methyl-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3-methyl-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3-methyl-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C692-0237 |
| Compound Name: | 8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3-methyl-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 474.56 |
| Molecular Formula: | C26 H30 N6 O3 |
| Smiles: | Cc1ccc(Cn2c3C(NC(N(C)c3nc2CN2CCN(CC2)c2ccc(cc2)OC)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.4848 |
| logD: | 3.4825 |
| logSw: | -3.4877 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.131 |
| InChI Key: | QTFJECQGGXDWPK-UHFFFAOYSA-N |