3-[(4-bromobenzene-1-sulfonyl)amino]-3-(3-nitrophenyl)propanoic acid
Chemical Structure Depiction of
3-[(4-bromobenzene-1-sulfonyl)amino]-3-(3-nitrophenyl)propanoic acid
3-[(4-bromobenzene-1-sulfonyl)amino]-3-(3-nitrophenyl)propanoic acid
Compound characteristics
| Compound ID: | 8013-5594 |
| Compound Name: | 3-[(4-bromobenzene-1-sulfonyl)amino]-3-(3-nitrophenyl)propanoic acid |
| Molecular Weight: | 429.24 |
| Molecular Formula: | C15 H13 Br N2 O6 S |
| Smiles: | C(C(c1cccc(c1)[N+]([O-])=O)NS(c1ccc(cc1)[Br])(=O)=O)C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2227 |
| logD: | 0.4218 |
| logSw: | -3.6101 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.606 |
| InChI Key: | ZWSJAXIHVNMQHR-AWEZNQCLSA-N |