3-methylbutyl 2-{[3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}propanoate
Chemical Structure Depiction of
3-methylbutyl 2-{[3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}propanoate
3-methylbutyl 2-{[3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}propanoate
Compound characteristics
| Compound ID: | 3793-3248 |
| Compound Name: | 3-methylbutyl 2-{[3-(4-methoxyphenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl]oxy}propanoate |
| Molecular Weight: | 494.46 |
| Molecular Formula: | C25 H25 F3 O7 |
| Smiles: | CC(C)CCOC(C(C)Oc1ccc2C(C(=C(C(F)(F)F)Oc2c1)Oc1ccc(cc1)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.702 |
| logD: | 5.702 |
| logSw: | -5.4415 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.995 |
| InChI Key: | DKLDBLLYZIBAJB-HNNXBMFYSA-N |