7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-(2-phenylethoxy)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-(2-phenylethoxy)-3,7-dihydro-1H-purine-2,6-dione
7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-(2-phenylethoxy)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 5339-0431 |
| Compound Name: | 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-(2-phenylethoxy)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 408.43 |
| Molecular Formula: | C22 H21 F N4 O3 |
| Smiles: | CN1C(c2c(nc(n2Cc2ccccc2F)OCCc2ccccc2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6582 |
| logD: | 4.6582 |
| logSw: | -4.4884 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.151 |
| InChI Key: | ZCWBQRQKRUXECX-UHFFFAOYSA-N |