9-(3-methylphenyl)-8-oxo-2-[4-(trifluoromethyl)phenyl]-8,9-dihydro-7H-purine-6-carboxamide
Chemical Structure Depiction of
9-(3-methylphenyl)-8-oxo-2-[4-(trifluoromethyl)phenyl]-8,9-dihydro-7H-purine-6-carboxamide
9-(3-methylphenyl)-8-oxo-2-[4-(trifluoromethyl)phenyl]-8,9-dihydro-7H-purine-6-carboxamide
Compound characteristics
| Compound ID: | C926-0316 |
| Compound Name: | 9-(3-methylphenyl)-8-oxo-2-[4-(trifluoromethyl)phenyl]-8,9-dihydro-7H-purine-6-carboxamide |
| Molecular Weight: | 413.36 |
| Molecular Formula: | C20 H14 F3 N5 O2 |
| Smiles: | Cc1cccc(c1)N1C(Nc2c(C(N)=O)nc(c3ccc(cc3)C(F)(F)F)nc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.318 |
| logD: | 4.3105 |
| logSw: | -4.5154 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 78.61 |
| InChI Key: | CZJFIVCWJVGRBT-UHFFFAOYSA-N |