propan-2-yl {[3-(4-tert-butylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}acetate
Chemical Structure Depiction of
propan-2-yl {[3-(4-tert-butylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}acetate
propan-2-yl {[3-(4-tert-butylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}acetate
Compound characteristics
| Compound ID: | 3793-3301 |
| Compound Name: | propan-2-yl {[3-(4-tert-butylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}acetate |
| Molecular Weight: | 478.46 |
| Molecular Formula: | C25 H25 F3 O6 |
| Smiles: | CC(C)OC(COc1ccc2C(C(=C(C(F)(F)F)Oc2c1)Oc1ccc(cc1)C(C)(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0696 |
| logD: | 6.0696 |
| logSw: | -5.5153 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.952 |
| InChI Key: | LEWDEBVXNNXLHX-UHFFFAOYSA-N |