methyl {4-methyl-7-[(4-nitrophenyl)methoxy]-2-oxo-2H-1-benzopyran-3-yl}acetate
Chemical Structure Depiction of
methyl {4-methyl-7-[(4-nitrophenyl)methoxy]-2-oxo-2H-1-benzopyran-3-yl}acetate
methyl {4-methyl-7-[(4-nitrophenyl)methoxy]-2-oxo-2H-1-benzopyran-3-yl}acetate
Compound characteristics
| Compound ID: | Y040-8216 |
| Compound Name: | methyl {4-methyl-7-[(4-nitrophenyl)methoxy]-2-oxo-2H-1-benzopyran-3-yl}acetate |
| Molecular Weight: | 383.36 |
| Molecular Formula: | C20 H17 N O7 |
| Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2cc(ccc12)OCc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4186 |
| logD: | 3.4186 |
| logSw: | -3.9022 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.348 |
| InChI Key: | QVHSHWFFASTYDI-UHFFFAOYSA-N |