7-[(2,6-dichlorophenyl)methyl]-8-(2-fluorophenoxy)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2,6-dichlorophenyl)methyl]-8-(2-fluorophenoxy)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(2,6-dichlorophenyl)methyl]-8-(2-fluorophenoxy)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8016-0898 |
| Compound Name: | 7-[(2,6-dichlorophenyl)methyl]-8-(2-fluorophenoxy)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 449.27 |
| Molecular Formula: | C20 H15 Cl2 F N4 O3 |
| Smiles: | CN1C(c2c(nc(n2Cc2c(cccc2[Cl])[Cl])Oc2ccccc2F)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1698 |
| logD: | 5.1698 |
| logSw: | -5.5906 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.839 |
| InChI Key: | SMSMNMSMKXGLMA-UHFFFAOYSA-N |