8-(benzylamino)-7-[(4-fluorophenyl)methyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(benzylamino)-7-[(4-fluorophenyl)methyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
8-(benzylamino)-7-[(4-fluorophenyl)methyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 4550-0079 |
| Compound Name: | 8-(benzylamino)-7-[(4-fluorophenyl)methyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 379.39 |
| Molecular Formula: | C20 H18 F N5 O2 |
| Smiles: | CN1C(NC(c2c1nc(NCc1ccccc1)n2Cc1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1783 |
| logD: | 3.1782 |
| logSw: | -3.3924 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.76 |
| InChI Key: | MFAVIDJURXQHIW-UHFFFAOYSA-N |