1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-2-[([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-2-[([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl)sulfanyl]ethan-1-one
1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-2-[([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 6456-0226 |
| Compound Name: | 1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-2-[([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 393.49 |
| Molecular Formula: | C19 H15 N5 O S2 |
| Smiles: | C1C=NN(C1c1ccccc1)C(CSc1nnc2n1c1ccccc1s2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.567 |
| logD: | 3.567 |
| logSw: | -3.5947 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.752 |
| InChI Key: | XUOCYFAOUSCOLO-AWEZNQCLSA-N |