3-(2-chloro-5-nitrophenyl)-3-[2-(phenylsulfanyl)acetamido]propanoic acid
Chemical Structure Depiction of
3-(2-chloro-5-nitrophenyl)-3-[2-(phenylsulfanyl)acetamido]propanoic acid
3-(2-chloro-5-nitrophenyl)-3-[2-(phenylsulfanyl)acetamido]propanoic acid
Compound characteristics
| Compound ID: | 8015-6810 |
| Compound Name: | 3-(2-chloro-5-nitrophenyl)-3-[2-(phenylsulfanyl)acetamido]propanoic acid |
| Molecular Weight: | 394.83 |
| Molecular Formula: | C17 H15 Cl N2 O5 S |
| Smiles: | C(C(c1cc(ccc1[Cl])[N+]([O-])=O)NC(CSc1ccccc1)=O)C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1278 |
| logD: | 0.4901 |
| logSw: | -3.3894 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.834 |
| InChI Key: | RMHZJVWETYDGTA-HNNXBMFYSA-N |