8-(2-chlorophenoxy)-1,3-dimethyl-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(2-chlorophenoxy)-1,3-dimethyl-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
8-(2-chlorophenoxy)-1,3-dimethyl-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 5941-1227 |
| Compound Name: | 8-(2-chlorophenoxy)-1,3-dimethyl-7-{[3-(trifluoromethyl)phenyl]methyl}-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 464.83 |
| Molecular Formula: | C21 H16 Cl F3 N4 O3 |
| Smiles: | CN1C(c2c(nc(n2Cc2cccc(c2)C(F)(F)F)Oc2ccccc2[Cl])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0804 |
| logD: | 5.0804 |
| logSw: | -5.5405 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.839 |
| InChI Key: | UJFDKNMRLLFERK-UHFFFAOYSA-N |