3-(2-chloro-5-nitrophenyl)-3-[3-(2-methylpropanamido)benzamido]propanoic acid
Chemical Structure Depiction of
3-(2-chloro-5-nitrophenyl)-3-[3-(2-methylpropanamido)benzamido]propanoic acid
3-(2-chloro-5-nitrophenyl)-3-[3-(2-methylpropanamido)benzamido]propanoic acid
Compound characteristics
| Compound ID: | 8016-7216 |
| Compound Name: | 3-(2-chloro-5-nitrophenyl)-3-[3-(2-methylpropanamido)benzamido]propanoic acid |
| Molecular Weight: | 433.85 |
| Molecular Formula: | C20 H20 Cl N3 O6 |
| Smiles: | CC(C)C(Nc1cccc(c1)C(NC(CC(O)=O)c1cc(ccc1[Cl])[N+]([O-])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3285 |
| logD: | 0.6907 |
| logSw: | -3.6524 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 109.41 |
| InChI Key: | NEQHJCYWEBQXBB-KRWDZBQOSA-N |