ethyl 5-{3-[3-(acetyloxy)-2-methylbenzamido]phenyl}-1-(4-fluorophenyl)-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-{3-[3-(acetyloxy)-2-methylbenzamido]phenyl}-1-(4-fluorophenyl)-1H-pyrazole-3-carboxylate
ethyl 5-{3-[3-(acetyloxy)-2-methylbenzamido]phenyl}-1-(4-fluorophenyl)-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | V002-0005 |
| Compound Name: | ethyl 5-{3-[3-(acetyloxy)-2-methylbenzamido]phenyl}-1-(4-fluorophenyl)-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 501.51 |
| Molecular Formula: | C28 H24 F N3 O5 |
| Smiles: | CCOC(c1cc(c2cccc(c2)NC(c2cccc(c2C)OC(C)=O)=O)n(c2ccc(cc2)F)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3088 |
| logD: | 5.3088 |
| logSw: | -5.3941 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.744 |
| InChI Key: | QJQMWLQDULVVCP-UHFFFAOYSA-N |