7-[(2,4-dichlorophenyl)methyl]-8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2,4-dichlorophenyl)methyl]-8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(2,4-dichlorophenyl)methyl]-8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0427 |
| Compound Name: | 7-[(2,4-dichlorophenyl)methyl]-8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 543.45 |
| Molecular Formula: | C26 H28 Cl2 N6 O3 |
| Smiles: | CN1C(c2c(nc(CN3CCN(CC3)c3ccc(cc3)OC)n2Cc2ccc(cc2[Cl])[Cl])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.848 |
| logD: | 4.8477 |
| logSw: | -4.92 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.217 |
| InChI Key: | PNYWDEKFVDJRHT-UHFFFAOYSA-N |