methyl 3-oxo-2-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene)-2,3-dihydro-1-benzofuran-5-carboxylate
Chemical Structure Depiction of
methyl 3-oxo-2-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene)-2,3-dihydro-1-benzofuran-5-carboxylate
methyl 3-oxo-2-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene)-2,3-dihydro-1-benzofuran-5-carboxylate
Compound characteristics
| Compound ID: | C711-0480 |
| Compound Name: | methyl 3-oxo-2-({5-[3-(trifluoromethyl)phenyl]furan-2-yl}methylidene)-2,3-dihydro-1-benzofuran-5-carboxylate |
| Molecular Weight: | 414.34 |
| Molecular Formula: | C22 H13 F3 O5 |
| Smiles: | [H]C(=C1/C(c2cc(ccc2O1)C(=O)OC)=O)\c1ccc(c2cccc(c2)C(F)(F)F)o1 |
| Stereo: | ACHIRAL |
| logP: | 5.6654 |
| logD: | 5.6654 |
| logSw: | -5.7736 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.107 |
| InChI Key: | AITMLQDCBLUORI-UHFFFAOYSA-N |