1-[(2-chlorophenyl)methyl]-8-(4-fluorophenoxy)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-[(2-chlorophenyl)methyl]-8-(4-fluorophenoxy)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
1-[(2-chlorophenyl)methyl]-8-(4-fluorophenoxy)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 7282-5749 |
| Compound Name: | 1-[(2-chlorophenyl)methyl]-8-(4-fluorophenoxy)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 414.82 |
| Molecular Formula: | C20 H16 Cl F N4 O3 |
| Smiles: | CN1C(N(Cc2ccccc2[Cl])C(c2c1nc(n2C)Oc1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0915 |
| logD: | 4.0915 |
| logSw: | -4.348 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.797 |
| InChI Key: | MKXVDDYLGJDQNY-UHFFFAOYSA-N |