N-[rel-(5R,7S)-7-(4-fluorophenyl)-5-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]pyridine-3-carboxamide
Chemical Structure Depiction of
N-[rel-(5R,7S)-7-(4-fluorophenyl)-5-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]pyridine-3-carboxamide
N-[rel-(5R,7S)-7-(4-fluorophenyl)-5-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]pyridine-3-carboxamide
Compound characteristics
| Compound ID: | D043-0319 |
| Compound Name: | N-[rel-(5R,7S)-7-(4-fluorophenyl)-5-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]pyridine-3-carboxamide |
| Molecular Weight: | 414.44 |
| Molecular Formula: | C23 H19 F N6 O |
| Smiles: | C1[C@@H](c2ccccc2)Nc2nc(NC(c3cccnc3)=O)nn2[C@H]1c1ccc(cc1)F |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.5942 |
| logD: | 3.5796 |
| logSw: | -3.4753 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.871 |
| InChI Key: | UCXRBOLDFKSGFI-PMACEKPBSA-N |