8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-7-[(4-fluorophenyl)methyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-7-[(4-fluorophenyl)methyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-7-[(4-fluorophenyl)methyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C692-0318 |
| Compound Name: | 8-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-7-[(4-fluorophenyl)methyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 482.94 |
| Molecular Formula: | C24 H24 Cl F N6 O2 |
| Smiles: | CN1C(NC(c2c1nc(CN1CCN(CC1)c1cccc(c1)[Cl])n2Cc1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5702 |
| logD: | 3.568 |
| logSw: | -3.9607 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.587 |
| InChI Key: | BHDOBXQJRIITOP-UHFFFAOYSA-N |