2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate
2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | 8010-3334 |
| Compound Name: | 2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 440.6 |
| Molecular Formula: | C14 H10 Br Cl F3 N3 O3 |
| Smiles: | Cn1cc(c(C(=O)OCC(Nc2cc(ccc2[Cl])C(F)(F)F)=O)n1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.9219 |
| logD: | 2.8988 |
| logSw: | -3.5439 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.903 |
| InChI Key: | ILKBJUYYSVCFKS-UHFFFAOYSA-N |