8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-3-methyl-7-(2-phenylethyl)-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-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-3-methyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C692-0416 |
| Compound Name: | 8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-3-methyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 493.01 |
| Molecular Formula: | C26 H29 Cl N6 O2 |
| Smiles: | Cc1ccc(cc1N1CCN(CC1)Cc1nc2c(C(NC(N2C)=O)=O)n1CCc1ccccc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.3896 |
| logD: | 4.3837 |
| logSw: | -4.4929 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.265 |
| InChI Key: | DMXSESYFIYHLOH-UHFFFAOYSA-N |