8-{[(4-chlorophenyl)methyl]amino}-1-[(2-fluorophenyl)methyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[(4-chlorophenyl)methyl]amino}-1-[(2-fluorophenyl)methyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-{[(4-chlorophenyl)methyl]amino}-1-[(2-fluorophenyl)methyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | IB08-7661 |
| Compound Name: | 8-{[(4-chlorophenyl)methyl]amino}-1-[(2-fluorophenyl)methyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 427.86 |
| Molecular Formula: | C21 H19 Cl F N5 O2 |
| Smiles: | CN1C(N(Cc2ccccc2F)C(c2c1nc(NCc1ccc(cc1)[Cl])n2C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.84 |
| logD: | 3.84 |
| logSw: | -4.85 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.49 |
| InChI Key: | OQNDAZJHALIGKX-UHFFFAOYSA-N |