4-[2-(2-chlorobenzamido)-3-(3-nitrophenyl)prop-2-enamido]butanoic acid
Chemical Structure Depiction of
4-[2-(2-chlorobenzamido)-3-(3-nitrophenyl)prop-2-enamido]butanoic acid
4-[2-(2-chlorobenzamido)-3-(3-nitrophenyl)prop-2-enamido]butanoic acid
Compound characteristics
| Compound ID: | 3379-3013 |
| Compound Name: | 4-[2-(2-chlorobenzamido)-3-(3-nitrophenyl)prop-2-enamido]butanoic acid |
| Molecular Weight: | 431.83 |
| Molecular Formula: | C20 H18 Cl N3 O6 |
| Smiles: | C(CC(O)=O)CNC(/C(=C\c1cccc(c1)[N+]([O-])=O)NC(c1ccccc1[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0864 |
| logD: | -0.7345 |
| logSw: | -3.3021 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 108.455 |
| InChI Key: | MVFGPPNHDKXDKC-UHFFFAOYSA-N |