ethyl 3,3,3-trifluoro-2-(3-fluorobenzamido)-2-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)propanoate
Chemical Structure Depiction of
ethyl 3,3,3-trifluoro-2-(3-fluorobenzamido)-2-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)propanoate
ethyl 3,3,3-trifluoro-2-(3-fluorobenzamido)-2-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)propanoate
Compound characteristics
| Compound ID: | 8010-8312 |
| Compound Name: | ethyl 3,3,3-trifluoro-2-(3-fluorobenzamido)-2-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)propanoate |
| Molecular Weight: | 465.4 |
| Molecular Formula: | C22 H19 F4 N3 O4 |
| Smiles: | CCOC(C(C1C(C)=NN(C1=O)c1ccccc1)(C(F)(F)F)NC(c1cccc(c1)F)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7622 |
| logD: | 1.9664 |
| logSw: | -3.9907 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.416 |
| InChI Key: | JRGLSQSBYZGBOU-UHFFFAOYSA-N |