8-[(dibenzylamino)methyl]-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[(dibenzylamino)methyl]-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-[(dibenzylamino)methyl]-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0121 |
| Compound Name: | 8-[(dibenzylamino)methyl]-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 497.57 |
| Molecular Formula: | C29 H28 F N5 O2 |
| Smiles: | CN1C(c2c(nc(CN(Cc3ccccc3)Cc3ccccc3)n2Cc2ccc(cc2)F)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9677 |
| logD: | 4.9675 |
| logSw: | -4.5907 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.121 |
| InChI Key: | LZPKCCYNPZEFOT-UHFFFAOYSA-N |