2-(1,3-benzothiazol-2-yl)-4-[N-(2-hydroxy-5-methylphenyl)ethanimidoyl]-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-4-[N-(2-hydroxy-5-methylphenyl)ethanimidoyl]-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-4-[N-(2-hydroxy-5-methylphenyl)ethanimidoyl]-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 5236-0052 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-4-[N-(2-hydroxy-5-methylphenyl)ethanimidoyl]-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 432.42 |
| Molecular Formula: | C20 H15 F3 N4 O2 S |
| Smiles: | C\C(C1=C(C(F)(F)F)NN(C1=O)c1nc2ccccc2s1)=N/c1cc(C)ccc1O |
| Stereo: | ACHIRAL |
| logP: | 4.7965 |
| logD: | -1.2017 |
| logSw: | -4.3184 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.233 |
| InChI Key: | STRRJRLVUXOZIA-UHFFFAOYSA-N |