2-(1,3-benzothiazol-2-yl)-4-{1-[([1,1'-biphenyl]-2-yl)amino]ethylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-4-{1-[([1,1'-biphenyl]-2-yl)amino]ethylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-4-{1-[([1,1'-biphenyl]-2-yl)amino]ethylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | Y501-3344 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-4-{1-[([1,1'-biphenyl]-2-yl)amino]ethylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 478.49 |
| Molecular Formula: | C25 H17 F3 N4 O S |
| Smiles: | C/C(=C1/C(C(F)(F)F)=NN(C1=O)c1nc2ccccc2s1)Nc1ccccc1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.357 |
| logD: | 6.0944 |
| logSw: | -5.6713 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.201 |
| InChI Key: | ITCXOVNITXGFER-UHFFFAOYSA-N |