7-[(2-chlorophenyl)methyl]-8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2-chlorophenyl)methyl]-8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(2-chlorophenyl)methyl]-8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D226-0052 |
| Compound Name: | 7-[(2-chlorophenyl)methyl]-8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 432.91 |
| Molecular Formula: | C20 H25 Cl N6 O3 |
| Smiles: | CN1C(c2c(nc(N3CCN(CC3)CCO)n2Cc2ccccc2[Cl])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5205 |
| logD: | 1.6438 |
| logSw: | -2.7073 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.144 |
| InChI Key: | UIIIXYTVEJGURP-UHFFFAOYSA-N |