4-({1-carboxy-2-[(4-chlorophenyl)methanesulfonyl]ethyl}amino)-3-nitrobenzoic acid
Chemical Structure Depiction of
4-({1-carboxy-2-[(4-chlorophenyl)methanesulfonyl]ethyl}amino)-3-nitrobenzoic acid
4-({1-carboxy-2-[(4-chlorophenyl)methanesulfonyl]ethyl}amino)-3-nitrobenzoic acid
Compound characteristics
| Compound ID: | R152-0928 |
| Compound Name: | 4-({1-carboxy-2-[(4-chlorophenyl)methanesulfonyl]ethyl}amino)-3-nitrobenzoic acid |
| Molecular Weight: | 442.83 |
| Molecular Formula: | C17 H15 Cl N2 O8 S |
| Smiles: | C(C(C(O)=O)Nc1ccc(cc1[N+]([O-])=O)C(O)=O)S(Cc1ccc(cc1)[Cl])(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4739 |
| logD: | -3.1351 |
| logSw: | -2.7986 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 127.603 |
| InChI Key: | QWHTZTLGTQRRQU-AWEZNQCLSA-N |