methyl 4-{4-[2-(3-nitrophenyl)-2-oxoethoxy]-4-oxobutanamido}benzoate
Chemical Structure Depiction of
methyl 4-{4-[2-(3-nitrophenyl)-2-oxoethoxy]-4-oxobutanamido}benzoate
methyl 4-{4-[2-(3-nitrophenyl)-2-oxoethoxy]-4-oxobutanamido}benzoate
Compound characteristics
| Compound ID: | 4483-1266 |
| Compound Name: | methyl 4-{4-[2-(3-nitrophenyl)-2-oxoethoxy]-4-oxobutanamido}benzoate |
| Molecular Weight: | 414.37 |
| Molecular Formula: | C20 H18 N2 O8 |
| Smiles: | COC(c1ccc(cc1)NC(CCC(=O)OCC(c1cccc(c1)[N+]([O-])=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7623 |
| logD: | 2.7621 |
| logSw: | -3.426 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 111.453 |
| InChI Key: | IVHUVQQIAMJHLU-UHFFFAOYSA-N |