butan-2-yl 2-{[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}propanoate
Chemical Structure Depiction of
butan-2-yl 2-{[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}propanoate
butan-2-yl 2-{[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}propanoate
Compound characteristics
| Compound ID: | 5976-1677 |
| Compound Name: | butan-2-yl 2-{[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}propanoate |
| Molecular Weight: | 494.46 |
| Molecular Formula: | C25 H25 F3 O7 |
| Smiles: | CCC(C)OC(C(C)Oc1ccc2C(C(=C(C(F)(F)F)Oc2c1)c1ccc(c(c1)OC)OC)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0404 |
| logD: | 5.0404 |
| logSw: | -4.6819 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.643 |
| InChI Key: | CNSDCNSJHFKPRT-UHFFFAOYSA-N |