N-[1-(4-fluorophenyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridine-4-carboxamide
Chemical Structure Depiction of
N-[1-(4-fluorophenyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridine-4-carboxamide
N-[1-(4-fluorophenyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridine-4-carboxamide
Compound characteristics
| Compound ID: | 8013-5780 |
| Compound Name: | N-[1-(4-fluorophenyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridine-4-carboxamide |
| Molecular Weight: | 449.32 |
| Molecular Formula: | C19 H11 F4 N5 O4 |
| Smiles: | c1cnccc1C(NC1(C2=C(NC1=O)N(C(NC2=O)=O)c1ccc(cc1)F)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.9169 |
| logD: | -3.9287 |
| logSw: | -1.1886 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.03 |
| InChI Key: | PXSMLEKVUSVFPK-SFHVURJKSA-N |