2-(1,3-benzothiazol-2-yl)-4-{1-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-4-{1-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-4-{1-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 3045-0079 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-4-{1-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 465.54 |
| Molecular Formula: | C22 H26 F3 N5 O S |
| Smiles: | C/C(=C1/C(C(F)(F)F)=NN(C1=O)c1nc2ccccc2s1)NC1CC(C)(C)NC(C)(C)C1 |
| Stereo: | ACHIRAL |
| logP: | 3.8912 |
| logD: | 0.2363 |
| logSw: | -3.9793 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.339 |
| InChI Key: | JITGTSXQZLWEDI-UHFFFAOYSA-N |