2-(1,3-benzothiazol-2-yl)-4-[N-(2-hydroxyethyl)ethanimidoyl]-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-4-[N-(2-hydroxyethyl)ethanimidoyl]-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-4-[N-(2-hydroxyethyl)ethanimidoyl]-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | Y508-2012 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-4-[N-(2-hydroxyethyl)ethanimidoyl]-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 370.35 |
| Molecular Formula: | C15 H13 F3 N4 O2 S |
| Smiles: | C\C(C1=C(C(F)(F)F)NN(C1=O)c1nc2ccccc2s1)=N/CCO |
| Stereo: | ACHIRAL |
| logP: | 2.6476 |
| logD: | -3.7434 |
| logSw: | -2.816 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.67 |
| InChI Key: | BPYDVXVKPVFWKE-UHFFFAOYSA-N |