8-(benzylamino)-1-[(2-fluorophenyl)methyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(benzylamino)-1-[(2-fluorophenyl)methyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-(benzylamino)-1-[(2-fluorophenyl)methyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 7282-5541 |
| Compound Name: | 8-(benzylamino)-1-[(2-fluorophenyl)methyl]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 393.42 |
| Molecular Formula: | C21 H20 F N5 O2 |
| Smiles: | CN1C(N(Cc2ccccc2F)C(c2c1nc(NCc1ccccc1)n2C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2489 |
| logD: | 3.246 |
| logSw: | -3.3077 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.891 |
| InChI Key: | ANQJDCFYLUXIIW-UHFFFAOYSA-N |