7-[(2-chlorophenyl)methyl]-8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2-chlorophenyl)methyl]-8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
7-[(2-chlorophenyl)methyl]-8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C692-0378 |
| Compound Name: | 7-[(2-chlorophenyl)methyl]-8-{[4-(2-fluorophenyl)piperazin-1-yl]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)c1ccccc1F)n2Cc1ccccc1[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7576 |
| logD: | 3.7555 |
| logSw: | -4.2145 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.286 |
| InChI Key: | KLPWYDHOGBSFKM-UHFFFAOYSA-N |