methyl 3-benzoyl-4,5-dioxo-1-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 3-benzoyl-4,5-dioxo-1-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrrole-2-carboxylate
methyl 3-benzoyl-4,5-dioxo-1-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | 8008-8925 |
| Compound Name: | methyl 3-benzoyl-4,5-dioxo-1-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 403.31 |
| Molecular Formula: | C20 H12 F3 N O5 |
| Smiles: | COC(C1=C(C(C(N1c1cccc(c1)C(F)(F)F)=O)=O)C(c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3464 |
| logD: | 3.3464 |
| logSw: | -3.8426 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.793 |
| InChI Key: | HDAYFSSKBOCRBE-UHFFFAOYSA-N |