1-[(2-fluorophenyl)methyl]-3,7-dimethyl-8-(3-methylphenoxy)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-[(2-fluorophenyl)methyl]-3,7-dimethyl-8-(3-methylphenoxy)-3,7-dihydro-1H-purine-2,6-dione
1-[(2-fluorophenyl)methyl]-3,7-dimethyl-8-(3-methylphenoxy)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 5339-0215 |
| Compound Name: | 1-[(2-fluorophenyl)methyl]-3,7-dimethyl-8-(3-methylphenoxy)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 394.4 |
| Molecular Formula: | C21 H19 F N4 O3 |
| Smiles: | Cc1cccc(c1)Oc1nc2c(C(N(Cc3ccccc3F)C(N2C)=O)=O)n1C |
| Stereo: | ACHIRAL |
| logP: | 4.1242 |
| logD: | 4.1241 |
| logSw: | -4.4169 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.797 |
| InChI Key: | VAKQLCHKLFXDLE-UHFFFAOYSA-N |