methyl {7-[(2-methoxy-5-nitrophenyl)methoxy]-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl}acetate
Chemical Structure Depiction of
methyl {7-[(2-methoxy-5-nitrophenyl)methoxy]-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl}acetate
methyl {7-[(2-methoxy-5-nitrophenyl)methoxy]-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl}acetate
Compound characteristics
| Compound ID: | Y040-8199 |
| Compound Name: | methyl {7-[(2-methoxy-5-nitrophenyl)methoxy]-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl}acetate |
| Molecular Weight: | 427.41 |
| Molecular Formula: | C22 H21 N O8 |
| Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2c1ccc(c2C)OCc1cc(ccc1OC)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.7839 |
| logD: | 3.7839 |
| logSw: | -4.1313 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 89.749 |
| InChI Key: | POEGLRCQZJARNU-UHFFFAOYSA-N |