methyl {7-[(2-methoxy-5-nitrophenyl)methoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}acetate
Chemical Structure Depiction of
methyl {7-[(2-methoxy-5-nitrophenyl)methoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}acetate
methyl {7-[(2-methoxy-5-nitrophenyl)methoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}acetate
Compound characteristics
| Compound ID: | Y040-8223 |
| Compound Name: | methyl {7-[(2-methoxy-5-nitrophenyl)methoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}acetate |
| Molecular Weight: | 413.38 |
| Molecular Formula: | C21 H19 N O8 |
| Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2cc(ccc12)OCc1cc(ccc1OC)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.2088 |
| logD: | 3.2088 |
| logSw: | -3.6243 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 89.979 |
| InChI Key: | ZVYZBDSFJYWFQM-UHFFFAOYSA-N |