4-[2-(4-methylbenzamido)-3-(3-nitrophenyl)prop-2-enamido]butanoic acid
Chemical Structure Depiction of
4-[2-(4-methylbenzamido)-3-(3-nitrophenyl)prop-2-enamido]butanoic acid
4-[2-(4-methylbenzamido)-3-(3-nitrophenyl)prop-2-enamido]butanoic acid
Compound characteristics
| Compound ID: | 5613-0219 |
| Compound Name: | 4-[2-(4-methylbenzamido)-3-(3-nitrophenyl)prop-2-enamido]butanoic acid |
| Molecular Weight: | 411.41 |
| Molecular Formula: | C21 H21 N3 O6 |
| Smiles: | Cc1ccc(cc1)C(NC(=C/c1cccc(c1)[N+]([O-])=O)\C(NCCCC(O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0546 |
| logD: | -0.7662 |
| logSw: | -2.7125 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 108.455 |
| InChI Key: | FDWDZWQBZOOCMG-UHFFFAOYSA-N |