ethyl 3-{7-[(2-methoxy-5-nitrophenyl)methoxy]-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl}propanoate
Chemical Structure Depiction of
ethyl 3-{7-[(2-methoxy-5-nitrophenyl)methoxy]-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl}propanoate
ethyl 3-{7-[(2-methoxy-5-nitrophenyl)methoxy]-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl}propanoate
Compound characteristics
| Compound ID: | Y041-1812 |
| Compound Name: | ethyl 3-{7-[(2-methoxy-5-nitrophenyl)methoxy]-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl}propanoate |
| Molecular Weight: | 455.46 |
| Molecular Formula: | C24 H25 N O8 |
| Smiles: | CCOC(CCC1=C(C)c2ccc(c(C)c2OC1=O)OCc1cc(ccc1OC)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6722 |
| logD: | 4.6722 |
| logSw: | -4.6717 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 89.329 |
| InChI Key: | PTRWTMIFGLSIDS-UHFFFAOYSA-N |