4-({2-[(3-bromophenyl)methanesulfonyl]-1-carboxyethyl}amino)-3-nitrobenzoic acid
Chemical Structure Depiction of
4-({2-[(3-bromophenyl)methanesulfonyl]-1-carboxyethyl}amino)-3-nitrobenzoic acid
4-({2-[(3-bromophenyl)methanesulfonyl]-1-carboxyethyl}amino)-3-nitrobenzoic acid
Compound characteristics
| Compound ID: | K781-9578 |
| Compound Name: | 4-({2-[(3-bromophenyl)methanesulfonyl]-1-carboxyethyl}amino)-3-nitrobenzoic acid |
| Molecular Weight: | 487.28 |
| Molecular Formula: | C17 H15 Br N2 O8 S |
| Smiles: | C(C(C(O)=O)Nc1ccc(cc1[N+]([O-])=O)C(O)=O)S(Cc1cccc(c1)[Br])(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8677 |
| logD: | -2.7413 |
| logSw: | -2.3811 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 127.603 |
| InChI Key: | AOJMABVJGUZTOA-AWEZNQCLSA-N |