2-(1,3-benzothiazol-2-yl)-4-[1-(4-phenylpiperazin-1-yl)ethylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-4-[1-(4-phenylpiperazin-1-yl)ethylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-4-[1-(4-phenylpiperazin-1-yl)ethylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | Y500-1181 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-4-[1-(4-phenylpiperazin-1-yl)ethylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 471.5 |
| Molecular Formula: | C23 H20 F3 N5 O S |
| Smiles: | C/C(=C1/C(C(F)(F)F)=NN(C1=O)c1nc2ccccc2s1)N1CCN(CC1)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8523 |
| logD: | 4.852 |
| logSw: | -4.6175 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 42.491 |
| InChI Key: | SLMIUFOXUJGIJB-UHFFFAOYSA-N |