8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0765 |
| Compound Name: | 8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 488.59 |
| Molecular Formula: | C27 H32 N6 O3 |
| Smiles: | CN1C(c2c(nc(CN3CCN(CC3)c3ccc(cc3)OC)n2CCc2ccccc2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6264 |
| logD: | 3.6258 |
| logSw: | -3.8041 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.196 |
| InChI Key: | RSYKGTVBQDQOPN-UHFFFAOYSA-N |