2-(1,3-benzothiazol-2-yl)-5-phenyl-4-[1-(propylamino)ethylidene]-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-5-phenyl-4-[1-(propylamino)ethylidene]-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-5-phenyl-4-[1-(propylamino)ethylidene]-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 4038-0126 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-5-phenyl-4-[1-(propylamino)ethylidene]-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 376.48 |
| Molecular Formula: | C21 H20 N4 O S |
| Smiles: | CCCNC(\C)=C1/C(c2ccccc2)=NN(C1=O)c1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 4.5098 |
| logD: | 4.4337 |
| logSw: | -4.2052 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.334 |
| InChI Key: | SUXDDDFTKQAJDT-UHFFFAOYSA-N |