8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-3-methyl-7-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-3-methyl-7-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione
8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-3-methyl-7-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C692-0155 |
| Compound Name: | 8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-3-methyl-7-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 444.96 |
| Molecular Formula: | C22 H29 Cl N6 O2 |
| Smiles: | CC(C)Cn1c2C(NC(N(C)c2nc1CN1CCN(CC1)c1cc(ccc1C)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9688 |
| logD: | 3.9179 |
| logSw: | -4.3055 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.558 |
| InChI Key: | HNWLVGGTLIZZEY-UHFFFAOYSA-N |