7-[(2-chloro-6-fluorophenyl)methyl]-8-ethoxy-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2-chloro-6-fluorophenyl)methyl]-8-ethoxy-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(2-chloro-6-fluorophenyl)methyl]-8-ethoxy-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 7282-5794 |
| Compound Name: | 7-[(2-chloro-6-fluorophenyl)methyl]-8-ethoxy-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 366.78 |
| Molecular Formula: | C16 H16 Cl F N4 O3 |
| Smiles: | CCOc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1c(cccc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 3.5209 |
| logD: | 3.5209 |
| logSw: | -3.7709 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.128 |
| InChI Key: | NJBCBSWMBJFTGB-UHFFFAOYSA-N |