methyl 4-(3-nitrophenyl)-4-oxo-2-[3-(trifluoromethyl)anilino]but-2-enoate
Chemical Structure Depiction of
methyl 4-(3-nitrophenyl)-4-oxo-2-[3-(trifluoromethyl)anilino]but-2-enoate
methyl 4-(3-nitrophenyl)-4-oxo-2-[3-(trifluoromethyl)anilino]but-2-enoate
Compound characteristics
| Compound ID: | 8020-3567 |
| Compound Name: | methyl 4-(3-nitrophenyl)-4-oxo-2-[3-(trifluoromethyl)anilino]but-2-enoate |
| Molecular Weight: | 394.3 |
| Molecular Formula: | C18 H13 F3 N2 O5 |
| Smiles: | COC(/C(=C/C(c1cccc(c1)[N+]([O-])=O)=O)Nc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8149 |
| logD: | 4.4428 |
| logSw: | -4.7511 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.786 |
| InChI Key: | CYOKBDAXCWIVFW-UHFFFAOYSA-N |