methyl 2-{[3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}propanoate
Chemical Structure Depiction of
methyl 2-{[3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}propanoate
methyl 2-{[3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}propanoate
Compound characteristics
| Compound ID: | 3793-3484 |
| Compound Name: | methyl 2-{[3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}propanoate |
| Molecular Weight: | 426.77 |
| Molecular Formula: | C20 H14 Cl F3 O5 |
| Smiles: | CC(C(=O)OC)Oc1ccc2C(C(=C(C(F)(F)F)Oc2c1)c1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6552 |
| logD: | 4.6552 |
| logSw: | -4.8938 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.241 |
| InChI Key: | YMPAKZXJGSECRK-JTQLQIEISA-N |