ethyl 3-{4,8-dimethyl-7-[2-(3-nitrophenyl)-2-oxoethoxy]-2-oxo-2H-1-benzopyran-3-yl}propanoate
Chemical Structure Depiction of
ethyl 3-{4,8-dimethyl-7-[2-(3-nitrophenyl)-2-oxoethoxy]-2-oxo-2H-1-benzopyran-3-yl}propanoate
ethyl 3-{4,8-dimethyl-7-[2-(3-nitrophenyl)-2-oxoethoxy]-2-oxo-2H-1-benzopyran-3-yl}propanoate
Compound characteristics
| Compound ID: | Y041-1386 |
| Compound Name: | ethyl 3-{4,8-dimethyl-7-[2-(3-nitrophenyl)-2-oxoethoxy]-2-oxo-2H-1-benzopyran-3-yl}propanoate |
| Molecular Weight: | 453.45 |
| Molecular Formula: | C24 H23 N O8 |
| Smiles: | CCOC(CCC1=C(C)c2ccc(c(C)c2OC1=O)OCC(c1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5508 |
| logD: | 4.5508 |
| logSw: | -4.5975 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 94.946 |
| InChI Key: | KDCLCWYDPZKVSM-UHFFFAOYSA-N |