8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-3-methyl-7-pentyl-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-pentyl-3,7-dihydro-1H-purine-2,6-dione
8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-3-methyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C692-0133 |
| Compound Name: | 8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-3-methyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 458.99 |
| Molecular Formula: | C23 H31 Cl N6 O2 |
| Smiles: | CCCCCn1c2C(NC(N(C)c2nc1CN1CCN(CC1)c1cc(ccc1C)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.599 |
| logD: | 4.5849 |
| logSw: | -4.5349 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.536 |
| InChI Key: | VGUQRMAVQQWYIG-UHFFFAOYSA-N |