N-[2-(3-bromobenzamido)-3-(4-nitrophenyl)prop-2-enoyl]alanine
Chemical Structure Depiction of
N-[2-(3-bromobenzamido)-3-(4-nitrophenyl)prop-2-enoyl]alanine
N-[2-(3-bromobenzamido)-3-(4-nitrophenyl)prop-2-enoyl]alanine
Compound characteristics
| Compound ID: | 3802-0563 |
| Compound Name: | N-[2-(3-bromobenzamido)-3-(4-nitrophenyl)prop-2-enoyl]alanine |
| Molecular Weight: | 462.25 |
| Molecular Formula: | C19 H16 Br N3 O6 |
| Smiles: | CC(C(O)=O)NC(/C(=C/c1ccc(cc1)[N+]([O-])=O)NC(c1cccc(c1)[Br])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2714 |
| logD: | -1.1262 |
| logSw: | -2.9936 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 107.801 |
| InChI Key: | KOHWNCSOZLMIIW-NSHDSACASA-N |