N-[2-(3-bromobenzamido)-3-(3-nitrophenyl)prop-2-enoyl]phenylalanine
Chemical Structure Depiction of
N-[2-(3-bromobenzamido)-3-(3-nitrophenyl)prop-2-enoyl]phenylalanine
N-[2-(3-bromobenzamido)-3-(3-nitrophenyl)prop-2-enoyl]phenylalanine
Compound characteristics
| Compound ID: | 3802-0567 |
| Compound Name: | N-[2-(3-bromobenzamido)-3-(3-nitrophenyl)prop-2-enoyl]phenylalanine |
| Molecular Weight: | 538.35 |
| Molecular Formula: | C25 H20 Br N3 O6 |
| Smiles: | C(C(C(O)=O)NC(/C(=C/c1cccc(c1)[N+]([O-])=O)NC(c1cccc(c1)[Br])=O)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3086 |
| logD: | -0.031 |
| logSw: | -3.6303 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 107.996 |
| InChI Key: | LHUZZSXVVCBPQW-QFIPXVFZSA-N |