2-(1,3-benzothiazol-2-yl)-4-[(cyclooctylamino)methylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-4-[(cyclooctylamino)methylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-4-[(cyclooctylamino)methylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | Y508-1792 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-4-[(cyclooctylamino)methylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 422.47 |
| Molecular Formula: | C20 H21 F3 N4 O S |
| Smiles: | C1CCCC(CCC1)N/C=C1/C(C(F)(F)F)=NN(C1=O)c1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 5.6477 |
| logD: | 5.646 |
| logSw: | -5.684 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.928 |
| InChI Key: | WTJFNEITEBZSNV-UHFFFAOYSA-N |