8-[(dibenzylamino)methyl]-7-[(2-fluorophenyl)methyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[(dibenzylamino)methyl]-7-[(2-fluorophenyl)methyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
8-[(dibenzylamino)methyl]-7-[(2-fluorophenyl)methyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C692-0328 |
| Compound Name: | 8-[(dibenzylamino)methyl]-7-[(2-fluorophenyl)methyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 483.55 |
| Molecular Formula: | C28 H26 F N5 O2 |
| Smiles: | CN1C(NC(c2c1nc(CN(Cc1ccccc1)Cc1ccccc1)n2Cc1ccccc1F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8012 |
| logD: | 4.799 |
| logSw: | -4.5093 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.035 |
| InChI Key: | KNBZWMBULKDDSF-UHFFFAOYSA-N |