3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl 3,4,5-trimethoxybenzoate
Chemical Structure Depiction of
3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl 3,4,5-trimethoxybenzoate
3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl 3,4,5-trimethoxybenzoate
Compound characteristics
| Compound ID: | 4491-0257 |
| Compound Name: | 3-(3,5-dimethylphenoxy)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl 3,4,5-trimethoxybenzoate |
| Molecular Weight: | 544.48 |
| Molecular Formula: | C28 H23 F3 O8 |
| Smiles: | Cc1cc(C)cc(c1)OC1=C(C(F)(F)F)Oc2cc(ccc2C1=O)OC(c1cc(c(c(c1)OC)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.494 |
| logD: | 5.494 |
| logSw: | -5.5921 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 70.971 |
| InChI Key: | ZNCZEQUSTSRSCE-UHFFFAOYSA-N |