8-{[(4-fluorophenyl)methyl]amino}-1,3-dimethyl-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[(4-fluorophenyl)methyl]amino}-1,3-dimethyl-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
8-{[(4-fluorophenyl)methyl]amino}-1,3-dimethyl-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | Y600-2677 |
| Compound Name: | 8-{[(4-fluorophenyl)methyl]amino}-1,3-dimethyl-7-[(4-methylphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 407.45 |
| Molecular Formula: | C22 H22 F N5 O2 |
| Smiles: | Cc1ccc(Cn2c3C(N(C)C(N(C)c3nc2NCc2ccc(cc2)F)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.0171 |
| logD: | 4.0168 |
| logSw: | -4.0433 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.846 |
| InChI Key: | ABRGGLCWSKPEAV-UHFFFAOYSA-N |