2-(1,3-benzothiazol-2-yl)-4-[1-(3-fluoroanilino)ethylidene]-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-4-[1-(3-fluoroanilino)ethylidene]-5-propyl-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-4-[1-(3-fluoroanilino)ethylidene]-5-propyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 3410-1658 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-4-[1-(3-fluoroanilino)ethylidene]-5-propyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 394.47 |
| Molecular Formula: | C21 H19 F N4 O S |
| Smiles: | CCCC1/C(=C(/C)Nc2cccc(c2)F)C(N(c2nc3ccccc3s2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5009 |
| logD: | 5.3993 |
| logSw: | -5.3994 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.074 |
| InChI Key: | JBDKOWNFTKQIAG-UHFFFAOYSA-N |