2-(3-nitrophenyl)-2-oxoethyl 4-[2-chloro-5-(trifluoromethyl)anilino]-4-oxobutanoate
Chemical Structure Depiction of
2-(3-nitrophenyl)-2-oxoethyl 4-[2-chloro-5-(trifluoromethyl)anilino]-4-oxobutanoate
2-(3-nitrophenyl)-2-oxoethyl 4-[2-chloro-5-(trifluoromethyl)anilino]-4-oxobutanoate
Compound characteristics
| Compound ID: | 4483-3463 |
| Compound Name: | 2-(3-nitrophenyl)-2-oxoethyl 4-[2-chloro-5-(trifluoromethyl)anilino]-4-oxobutanoate |
| Molecular Weight: | 458.78 |
| Molecular Formula: | C19 H14 Cl F3 N2 O6 |
| Smiles: | C(CC(=O)OCC(c1cccc(c1)[N+]([O-])=O)=O)C(Nc1cc(ccc1[Cl])C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8965 |
| logD: | 3.827 |
| logSw: | -4.4835 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.581 |
| InChI Key: | YGKIDYGIGIQVGC-UHFFFAOYSA-N |