methyl {4,8-dimethyl-7-[(4-nitrophenyl)methoxy]-2-oxo-2H-1-benzopyran-3-yl}acetate
Chemical Structure Depiction of
methyl {4,8-dimethyl-7-[(4-nitrophenyl)methoxy]-2-oxo-2H-1-benzopyran-3-yl}acetate
methyl {4,8-dimethyl-7-[(4-nitrophenyl)methoxy]-2-oxo-2H-1-benzopyran-3-yl}acetate
Compound characteristics
| Compound ID: | Y040-8200 |
| Compound Name: | methyl {4,8-dimethyl-7-[(4-nitrophenyl)methoxy]-2-oxo-2H-1-benzopyran-3-yl}acetate |
| Molecular Weight: | 397.38 |
| Molecular Formula: | C21 H19 N O7 |
| Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2c1ccc(c2C)OCc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9937 |
| logD: | 3.9937 |
| logSw: | -4.5254 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.119 |
| InChI Key: | FEISUNIEACALPZ-UHFFFAOYSA-N |