({2-oxo-3-[4-(trifluoromethoxy)phenyl]-2H-1-benzopyran-7-yl}oxy)acetonitrile
Chemical Structure Depiction of
({2-oxo-3-[4-(trifluoromethoxy)phenyl]-2H-1-benzopyran-7-yl}oxy)acetonitrile
({2-oxo-3-[4-(trifluoromethoxy)phenyl]-2H-1-benzopyran-7-yl}oxy)acetonitrile
Compound characteristics
| Compound ID: | Y041-3194 |
| Compound Name: | ({2-oxo-3-[4-(trifluoromethoxy)phenyl]-2H-1-benzopyran-7-yl}oxy)acetonitrile |
| Molecular Weight: | 361.27 |
| Molecular Formula: | C18 H10 F3 N O4 |
| Smiles: | C(C#N)Oc1ccc2C=C(C(=O)Oc2c1)c1ccc(cc1)OC(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 3.9583 |
| logD: | 3.9583 |
| logSw: | -4.3333 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.735 |
| InChI Key: | XRVLWYTXVUYZRQ-UHFFFAOYSA-N |