ethyl 2-{[3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}butanoate
Chemical Structure Depiction of
ethyl 2-{[3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}butanoate
ethyl 2-{[3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}butanoate
Compound characteristics
| Compound ID: | 5596-0231 |
| Compound Name: | ethyl 2-{[3-(2-methoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}butanoate |
| Molecular Weight: | 450.41 |
| Molecular Formula: | C23 H21 F3 O6 |
| Smiles: | CCC(C(=O)OCC)Oc1ccc2C(C(=C(C(F)(F)F)Oc2c1)c1ccccc1OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9106 |
| logD: | 4.9106 |
| logSw: | -4.7499 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.334 |
| InChI Key: | IIAKXDNARGCEAY-INIZCTEOSA-N |