2-methylpropyl 4-{4-[2-(4-methyl-3-nitrophenyl)-2-oxoethoxy]-4-oxobutanamido}benzoate
Chemical Structure Depiction of
2-methylpropyl 4-{4-[2-(4-methyl-3-nitrophenyl)-2-oxoethoxy]-4-oxobutanamido}benzoate
2-methylpropyl 4-{4-[2-(4-methyl-3-nitrophenyl)-2-oxoethoxy]-4-oxobutanamido}benzoate
Compound characteristics
| Compound ID: | 4483-3296 |
| Compound Name: | 2-methylpropyl 4-{4-[2-(4-methyl-3-nitrophenyl)-2-oxoethoxy]-4-oxobutanamido}benzoate |
| Molecular Weight: | 470.48 |
| Molecular Formula: | C24 H26 N2 O8 |
| Smiles: | CC(C)COC(c1ccc(cc1)NC(CCC(=O)OCC(c1ccc(C)c(c1)[N+]([O-])=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4288 |
| logD: | 4.4286 |
| logSw: | -4.3914 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 111.107 |
| InChI Key: | QWJLIXRVGOCBMF-UHFFFAOYSA-N |