2-(1,3-benzothiazol-2-yl)-4-[1-(4-bromoanilino)ethylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-4-[1-(4-bromoanilino)ethylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-4-[1-(4-bromoanilino)ethylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | Y010-1705 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-4-[1-(4-bromoanilino)ethylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 481.29 |
| Molecular Formula: | C19 H12 Br F3 N4 O S |
| Smiles: | C/C(=C1\C(C(F)(F)F)=NN(C1=O)c1nc2ccccc2s1)Nc1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.7227 |
| logD: | 3.9768 |
| logSw: | -5.5204 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.17 |
| InChI Key: | OMFTYNOURWFHAU-UHFFFAOYSA-N |