8-(2-chloro-4-fluorophenoxy)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(2-chloro-4-fluorophenoxy)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
8-(2-chloro-4-fluorophenoxy)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 4137-0123 |
| Compound Name: | 8-(2-chloro-4-fluorophenoxy)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 338.72 |
| Molecular Formula: | C14 H12 Cl F N4 O3 |
| Smiles: | CN1C(c2c(nc(n2C)Oc2ccc(cc2[Cl])F)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6491 |
| logD: | 2.6491 |
| logSw: | -3.4642 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.921 |
| InChI Key: | BCFKZKAIXFFTSN-UHFFFAOYSA-N |