7-[(2-chlorophenyl)methyl]-3-methyl-8-(piperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2-chlorophenyl)methyl]-3-methyl-8-(piperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
7-[(2-chlorophenyl)methyl]-3-methyl-8-(piperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | D226-0037 |
| Compound Name: | 7-[(2-chlorophenyl)methyl]-3-methyl-8-(piperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 374.83 |
| Molecular Formula: | C17 H19 Cl N6 O2 |
| Smiles: | CN1C(NC(c2c1nc(N1CCNCC1)n2Cc1ccccc1[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0378 |
| logD: | -0.4319 |
| logSw: | -2.7787 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.572 |
| InChI Key: | WMQWNGOCKCYSAY-UHFFFAOYSA-N |