7-[(2-chloro-6-fluorophenyl)methyl]-8-methoxy-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2-chloro-6-fluorophenyl)methyl]-8-methoxy-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(2-chloro-6-fluorophenyl)methyl]-8-methoxy-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 6284-0022 |
| Compound Name: | 7-[(2-chloro-6-fluorophenyl)methyl]-8-methoxy-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 352.75 |
| Molecular Formula: | C15 H14 Cl F N4 O3 |
| Smiles: | CN1C(c2c(nc(n2Cc2c(cccc2[Cl])F)OC)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0769 |
| logD: | 3.0769 |
| logSw: | -3.3957 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.548 |
| InChI Key: | RWHRPBCUCMGYKY-UHFFFAOYSA-N |