N-[2-(2-chlorobenzamido)-3-(3-nitrophenyl)prop-2-enoyl]-beta-alanine
Chemical Structure Depiction of
N-[2-(2-chlorobenzamido)-3-(3-nitrophenyl)prop-2-enoyl]-beta-alanine
N-[2-(2-chlorobenzamido)-3-(3-nitrophenyl)prop-2-enoyl]-beta-alanine
Compound characteristics
| Compound ID: | 3379-3012 |
| Compound Name: | N-[2-(2-chlorobenzamido)-3-(3-nitrophenyl)prop-2-enoyl]-beta-alanine |
| Molecular Weight: | 417.8 |
| Molecular Formula: | C19 H16 Cl N3 O6 |
| Smiles: | C(CNC(/C(=C\c1cccc(c1)[N+]([O-])=O)NC(c1ccccc1[Cl])=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6725 |
| logD: | -1.0232 |
| logSw: | -2.9043 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 108.455 |
| InChI Key: | RCNLZZWASPKDTJ-UHFFFAOYSA-N |