8-(benzylamino)-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(benzylamino)-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-(benzylamino)-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 3238-0370 |
| Compound Name: | 8-(benzylamino)-7-[(2-fluorophenyl)methyl]-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(NCc3ccccc3)n2Cc2ccccc2F)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8428 |
| logD: | 3.8427 |
| logSw: | -3.9554 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.846 |
| InChI Key: | WQYDUFTVXNDVCR-UHFFFAOYSA-N |