ethyl 3-{4,8-dimethyl-7-[(4-nitrophenyl)methoxy]-2-oxo-2H-1-benzopyran-3-yl}propanoate
Chemical Structure Depiction of
ethyl 3-{4,8-dimethyl-7-[(4-nitrophenyl)methoxy]-2-oxo-2H-1-benzopyran-3-yl}propanoate
ethyl 3-{4,8-dimethyl-7-[(4-nitrophenyl)methoxy]-2-oxo-2H-1-benzopyran-3-yl}propanoate
Compound characteristics
| Compound ID: | Y041-1800 |
| Compound Name: | ethyl 3-{4,8-dimethyl-7-[(4-nitrophenyl)methoxy]-2-oxo-2H-1-benzopyran-3-yl}propanoate |
| Molecular Weight: | 425.44 |
| Molecular Formula: | C23 H23 N O7 |
| Smiles: | CCOC(CCC1=C(C)c2ccc(c(C)c2OC1=O)OCc1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.882 |
| logD: | 4.882 |
| logSw: | -4.8559 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.699 |
| InChI Key: | LKLWAEDZUOPQFF-UHFFFAOYSA-N |