ethyl 3-{6-chloro-4-methyl-7-[2-(3-nitrophenyl)-2-oxoethoxy]-2-oxo-2H-1-benzopyran-3-yl}propanoate
Chemical Structure Depiction of
ethyl 3-{6-chloro-4-methyl-7-[2-(3-nitrophenyl)-2-oxoethoxy]-2-oxo-2H-1-benzopyran-3-yl}propanoate
ethyl 3-{6-chloro-4-methyl-7-[2-(3-nitrophenyl)-2-oxoethoxy]-2-oxo-2H-1-benzopyran-3-yl}propanoate
Compound characteristics
| Compound ID: | Y041-1385 |
| Compound Name: | ethyl 3-{6-chloro-4-methyl-7-[2-(3-nitrophenyl)-2-oxoethoxy]-2-oxo-2H-1-benzopyran-3-yl}propanoate |
| Molecular Weight: | 473.87 |
| Molecular Formula: | C23 H20 Cl N O8 |
| Smiles: | CCOC(CCC1=C(C)c2cc(c(cc2OC1=O)OCC(c1cccc(c1)[N+]([O-])=O)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.0419 |
| logD: | 5.0419 |
| logSw: | -5.2812 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 95.261 |
| InChI Key: | CUPDNBWJRLMKRG-UHFFFAOYSA-N |