8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-7-ethyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-7-ethyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-7-ethyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C692-0038 |
| Compound Name: | 8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-7-ethyl-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 402.88 |
| Molecular Formula: | C19 H23 Cl N6 O2 |
| Smiles: | CCn1c2C(NC(N(C)c2nc1CN1CCN(CC1)c1cccc(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.377 |
| logD: | 2.3718 |
| logSw: | -3.4454 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.584 |
| InChI Key: | SJZXUTSEYCHLMZ-UHFFFAOYSA-N |