8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3-methyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3-methyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3-methyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C692-0435 |
| Compound Name: | 8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-3-methyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 488.59 |
| Molecular Formula: | C27 H32 N6 O3 |
| Smiles: | CN1C(NC(c2c1nc(CN1CCN(CC1)c1ccc(cc1)OC)n2CCCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7501 |
| logD: | 3.7435 |
| logSw: | -3.9985 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.109 |
| InChI Key: | UFBWNOBZZJWKCU-UHFFFAOYSA-N |