7-benzyl-8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-benzyl-8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-benzyl-8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0089 |
| Compound Name: | 7-benzyl-8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 478.98 |
| Molecular Formula: | C25 H27 Cl N6 O2 |
| Smiles: | CN1C(c2c(nc(CN3CCN(CC3)c3cccc(c3)[Cl])n2Cc2ccccc2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9566 |
| logD: | 3.9564 |
| logSw: | -4.183 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.673 |
| InChI Key: | PMJINWQTJFICES-UHFFFAOYSA-N |