8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0494 |
| Compound Name: | 8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 506.99 |
| Molecular Formula: | C26 H27 Cl N6 O3 |
| Smiles: | CN1C(c2c(nc(CN3CCN(CC3)c3cccc(c3)[Cl])n2CC(c2ccccc2)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3388 |
| logD: | 3.3384 |
| logSw: | -3.7098 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.92 |
| InChI Key: | GKSOZEMMQZHRBQ-UHFFFAOYSA-N |