2-(1,3-benzothiazol-2-yl)-4-[1-(4-ethoxyanilino)ethylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-4-[1-(4-ethoxyanilino)ethylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-4-[1-(4-ethoxyanilino)ethylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | Y500-0704 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-4-[1-(4-ethoxyanilino)ethylidene]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 446.45 |
| Molecular Formula: | C21 H17 F3 N4 O2 S |
| Smiles: | CCOc1ccc(cc1)NC(\C)=C1/C(C(F)(F)F)=NN(C1=O)c1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 5.2578 |
| logD: | 4.8042 |
| logSw: | -5.038 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.294 |
| InChI Key: | SPWWBDJUBZERQB-UHFFFAOYSA-N |