7-[(2-methoxy-5-nitrophenyl)methoxy]-8-methyl-4-(trifluoromethyl)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-[(2-methoxy-5-nitrophenyl)methoxy]-8-methyl-4-(trifluoromethyl)-2H-1-benzopyran-2-one
7-[(2-methoxy-5-nitrophenyl)methoxy]-8-methyl-4-(trifluoromethyl)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y041-2018 |
| Compound Name: | 7-[(2-methoxy-5-nitrophenyl)methoxy]-8-methyl-4-(trifluoromethyl)-2H-1-benzopyran-2-one |
| Molecular Weight: | 409.32 |
| Molecular Formula: | C19 H14 F3 N O6 |
| Smiles: | Cc1c(ccc2C(=CC(=O)Oc12)C(F)(F)F)OCc1cc(ccc1OC)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1275 |
| logD: | 4.1275 |
| logSw: | -4.5785 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.656 |
| InChI Key: | XYGICSJKNCXMCC-UHFFFAOYSA-N |