7-benzyl-8-{[(4-fluorophenyl)methyl]amino}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-benzyl-8-{[(4-fluorophenyl)methyl]amino}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-benzyl-8-{[(4-fluorophenyl)methyl]amino}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | Y600-2675 |
| Compound Name: | 7-benzyl-8-{[(4-fluorophenyl)methyl]amino}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 393.42 |
| Molecular Formula: | C21 H20 F N5 O2 |
| Smiles: | CN1C(c2c(nc(NCc3ccc(cc3)F)n2Cc2ccccc2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5938 |
| logD: | 3.5934 |
| logSw: | -3.6752 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.846 |
| InChI Key: | JEGUEFXNEBUFMZ-UHFFFAOYSA-N |