[7-(4-methylphenyl)-5-phenyl-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-4(5H)-yl](2-nitrophenyl)methanone
Chemical Structure Depiction of
[7-(4-methylphenyl)-5-phenyl-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-4(5H)-yl](2-nitrophenyl)methanone
[7-(4-methylphenyl)-5-phenyl-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-4(5H)-yl](2-nitrophenyl)methanone
Compound characteristics
| Compound ID: | F019-2822 |
| Compound Name: | [7-(4-methylphenyl)-5-phenyl-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-4(5H)-yl](2-nitrophenyl)methanone |
| Molecular Weight: | 439.47 |
| Molecular Formula: | C25 H21 N5 O3 |
| Smiles: | Cc1ccc(cc1)C1CC(c2ccccc2)N(C(c2ccccc2[N+]([O-])=O)=O)c2ncnn12 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6336 |
| logD: | 4.6336 |
| logSw: | -4.6455 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.319 |
| InChI Key: | DWQYBGOYPLVMPB-UHFFFAOYSA-N |