4-ethyl-7-methyl-5-[2-(3-nitrophenyl)-2-oxoethoxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-ethyl-7-methyl-5-[2-(3-nitrophenyl)-2-oxoethoxy]-2H-1-benzopyran-2-one
4-ethyl-7-methyl-5-[2-(3-nitrophenyl)-2-oxoethoxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y041-2038 |
| Compound Name: | 4-ethyl-7-methyl-5-[2-(3-nitrophenyl)-2-oxoethoxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 367.36 |
| Molecular Formula: | C20 H17 N O6 |
| Smiles: | CCC1=CC(=O)Oc2cc(C)cc(c12)OCC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1908 |
| logD: | 4.1908 |
| logSw: | -4.6107 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.588 |
| InChI Key: | RBSHQDUATKGRHW-UHFFFAOYSA-N |