8-{[(4-chlorophenyl)methyl]amino}-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[(4-chlorophenyl)methyl]amino}-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-{[(4-chlorophenyl)methyl]amino}-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | Y600-2668 |
| Compound Name: | 8-{[(4-chlorophenyl)methyl]amino}-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 427.86 |
| Molecular Formula: | C21 H19 Cl F N5 O2 |
| Smiles: | CN1C(c2c(nc(NCc3ccc(cc3)[Cl])n2Cc2ccc(cc2)F)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1885 |
| logD: | 4.1881 |
| logSw: | -4.4708 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.846 |
| InChI Key: | FVJRZDXITRSVHN-UHFFFAOYSA-N |