methyl 4-{5-[2-(4-methyl-3-nitrophenyl)-2-oxoethoxy]-5-oxopentanamido}benzoate
Chemical Structure Depiction of
methyl 4-{5-[2-(4-methyl-3-nitrophenyl)-2-oxoethoxy]-5-oxopentanamido}benzoate
methyl 4-{5-[2-(4-methyl-3-nitrophenyl)-2-oxoethoxy]-5-oxopentanamido}benzoate
Compound characteristics
| Compound ID: | 4483-3318 |
| Compound Name: | methyl 4-{5-[2-(4-methyl-3-nitrophenyl)-2-oxoethoxy]-5-oxopentanamido}benzoate |
| Molecular Weight: | 442.42 |
| Molecular Formula: | C22 H22 N2 O8 |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C(COC(CCCC(Nc1ccc(cc1)C(=O)OC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2725 |
| logD: | 3.2723 |
| logSw: | -3.6523 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 111.152 |
| InChI Key: | NNDLEORSZGJQFV-UHFFFAOYSA-N |