8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(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-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0762 |
| Compound Name: | 8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 493.01 |
| Molecular Formula: | C26 H29 Cl N6 O2 |
| Smiles: | CN1C(c2c(nc(CN3CCN(CC3)c3cccc(c3)[Cl])n2CCc2ccccc2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1061 |
| logD: | 4.1055 |
| logSw: | -4.3379 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.652 |
| InChI Key: | JYQNFQXKXIGFQC-UHFFFAOYSA-N |