N-[7-(4-fluorophenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-nitrobenzamide
Chemical Structure Depiction of
N-[7-(4-fluorophenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-nitrobenzamide
N-[7-(4-fluorophenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-nitrobenzamide
Compound characteristics
| Compound ID: | D413-0198 |
| Compound Name: | N-[7-(4-fluorophenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-nitrobenzamide |
| Molecular Weight: | 456.43 |
| Molecular Formula: | C24 H17 F N6 O3 |
| Smiles: | C1C(c2ccc(cc2)F)n2c(NC=1c1ccccc1)nc(NC(c1ccc(cc1)[N+]([O-])=O)=O)n2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8974 |
| logD: | 4.8571 |
| logSw: | -5.0807 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.266 |
| InChI Key: | ZMFXFOLZHYSMPM-NRFANRHFSA-N |