ethyl 2-{[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}butanoate
Chemical Structure Depiction of
ethyl 2-{[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}butanoate
ethyl 2-{[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}butanoate
Compound characteristics
| Compound ID: | 3793-3427 |
| Compound Name: | ethyl 2-{[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}butanoate |
| Molecular Weight: | 480.44 |
| Molecular Formula: | C24 H23 F3 O7 |
| Smiles: | CCC(C(=O)OCC)Oc1ccc2C(C(=C(C(F)(F)F)Oc2c1)c1ccc(c(c1)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7373 |
| logD: | 4.7373 |
| logSw: | -4.547 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.964 |
| InChI Key: | JFKPWPGUDVTMOS-INIZCTEOSA-N |