N-[rel-(5R,7S)-5,7-diphenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methylbenzamide
Chemical Structure Depiction of
N-[rel-(5R,7S)-5,7-diphenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methylbenzamide
N-[rel-(5R,7S)-5,7-diphenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methylbenzamide
Compound characteristics
| Compound ID: | D043-0317 |
| Compound Name: | N-[rel-(5R,7S)-5,7-diphenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-methylbenzamide |
| Molecular Weight: | 409.49 |
| Molecular Formula: | C25 H23 N5 O |
| Smiles: | Cc1ccc(cc1)C(Nc1nc2N[C@@H](C[C@H](c3ccccc3)n2n1)c1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1809 |
| logD: | 5.1726 |
| logSw: | -5.0748 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.353 |
| InChI Key: | MVZSXGUZYVRFII-VXKWHMMOSA-N |