1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-2-[(9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-2-[(9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)sulfanyl]ethan-1-one
1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-2-[(9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | Y020-3445 |
| Compound Name: | 1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-2-[(9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 376.44 |
| Molecular Formula: | C19 H16 N6 O S |
| Smiles: | C1C=NN(C1c1ccccc1)C(CSc1nnc2[nH]c3ccccc3n12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6569 |
| logD: | 2.6565 |
| logSw: | -2.891 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.576 |
| InChI Key: | XDWPGWFUZIDNND-HNNXBMFYSA-N |