propyl 4-{4-[2-(4-chloro-3-nitrophenyl)-2-oxoethoxy]-4-oxobutanamido}benzoate
Chemical Structure Depiction of
propyl 4-{4-[2-(4-chloro-3-nitrophenyl)-2-oxoethoxy]-4-oxobutanamido}benzoate
propyl 4-{4-[2-(4-chloro-3-nitrophenyl)-2-oxoethoxy]-4-oxobutanamido}benzoate
Compound characteristics
| Compound ID: | 4483-3343 |
| Compound Name: | propyl 4-{4-[2-(4-chloro-3-nitrophenyl)-2-oxoethoxy]-4-oxobutanamido}benzoate |
| Molecular Weight: | 476.87 |
| Molecular Formula: | C22 H21 Cl N2 O8 |
| Smiles: | CCCOC(c1ccc(cc1)NC(CCC(=O)OCC(c1ccc(c(c1)[N+]([O-])=O)[Cl])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.054 |
| logD: | 4.0538 |
| logSw: | -4.5021 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 111.026 |
| InChI Key: | AKRPSNOZFKOGEI-UHFFFAOYSA-N |