8-oxo-9-phenyl-2-[4-(trifluoromethyl)phenyl]-8,9-dihydro-7H-purine-6-carboxamide
Chemical Structure Depiction of
8-oxo-9-phenyl-2-[4-(trifluoromethyl)phenyl]-8,9-dihydro-7H-purine-6-carboxamide
8-oxo-9-phenyl-2-[4-(trifluoromethyl)phenyl]-8,9-dihydro-7H-purine-6-carboxamide
Compound characteristics
Compound ID: | C926-0142 |
Compound Name: | 8-oxo-9-phenyl-2-[4-(trifluoromethyl)phenyl]-8,9-dihydro-7H-purine-6-carboxamide |
Molecular Weight: | 399.33 |
Molecular Formula: | C19 H12 F3 N5 O2 |
Smiles: | c1ccc(cc1)N1C(Nc2c(C(N)=O)nc(c3ccc(cc3)C(F)(F)F)nc12)=O |
Stereo: | ACHIRAL |
logP: | 3.698 |
logD: | 3.6604 |
logSw: | -4.2934 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 78.61 |
InChI Key: | YCOZZWCJEAQFBS-UHFFFAOYSA-N |