methyl {4,8-dimethyl-7-[2-(3-nitrophenyl)-2-oxoethoxy]-2-oxo-2H-1-benzopyran-3-yl}acetate
Chemical Structure Depiction of
methyl {4,8-dimethyl-7-[2-(3-nitrophenyl)-2-oxoethoxy]-2-oxo-2H-1-benzopyran-3-yl}acetate
methyl {4,8-dimethyl-7-[2-(3-nitrophenyl)-2-oxoethoxy]-2-oxo-2H-1-benzopyran-3-yl}acetate
Compound characteristics
| Compound ID: | Y041-1382 |
| Compound Name: | methyl {4,8-dimethyl-7-[2-(3-nitrophenyl)-2-oxoethoxy]-2-oxo-2H-1-benzopyran-3-yl}acetate |
| Molecular Weight: | 425.39 |
| Molecular Formula: | C22 H19 N O8 |
| Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2c1ccc(c2C)OCC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6625 |
| logD: | 3.6625 |
| logSw: | -4.1687 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 95.366 |
| InChI Key: | YTWVZOQOWPLEEH-UHFFFAOYSA-N |