ethyl 3-{6-chloro-7-[(2-methoxy-5-nitrophenyl)methoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}propanoate
Chemical Structure Depiction of
ethyl 3-{6-chloro-7-[(2-methoxy-5-nitrophenyl)methoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}propanoate
ethyl 3-{6-chloro-7-[(2-methoxy-5-nitrophenyl)methoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}propanoate
Compound characteristics
| Compound ID: | Y040-7894 |
| Compound Name: | ethyl 3-{6-chloro-7-[(2-methoxy-5-nitrophenyl)methoxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}propanoate |
| Molecular Weight: | 475.88 |
| Molecular Formula: | C23 H22 Cl N O8 |
| Smiles: | CCOC(CCC1=C(C)c2cc(c(cc2OC1=O)OCc1cc(ccc1OC)[N+]([O-])=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1633 |
| logD: | 5.1633 |
| logSw: | -5.5304 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 89.645 |
| InChI Key: | PDIHDIOEMZPIHN-UHFFFAOYSA-N |