9-(4-fluorophenyl)-7-methyl-8-oxo-2-[3-(trifluoromethyl)phenyl]-8,9-dihydro-7H-purine-6-carboxamide
Chemical Structure Depiction of
9-(4-fluorophenyl)-7-methyl-8-oxo-2-[3-(trifluoromethyl)phenyl]-8,9-dihydro-7H-purine-6-carboxamide
9-(4-fluorophenyl)-7-methyl-8-oxo-2-[3-(trifluoromethyl)phenyl]-8,9-dihydro-7H-purine-6-carboxamide
Compound characteristics
| Compound ID: | G656-1000 |
| Compound Name: | 9-(4-fluorophenyl)-7-methyl-8-oxo-2-[3-(trifluoromethyl)phenyl]-8,9-dihydro-7H-purine-6-carboxamide |
| Molecular Weight: | 431.35 |
| Molecular Formula: | C20 H13 F4 N5 O2 |
| Smiles: | CN1C(N(c2ccc(cc2)F)c2c1c(C(N)=O)nc(c1cccc(c1)C(F)(F)F)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.149 |
| logD: | 4.149 |
| logSw: | -4.5756 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.844 |
| InChI Key: | JIAGAECLZLRIRA-UHFFFAOYSA-N |