4-({1-carboxy-2-[(4-methylphenyl)methanesulfonyl]ethyl}amino)-3-nitrobenzoic acid
Chemical Structure Depiction of
4-({1-carboxy-2-[(4-methylphenyl)methanesulfonyl]ethyl}amino)-3-nitrobenzoic acid
4-({1-carboxy-2-[(4-methylphenyl)methanesulfonyl]ethyl}amino)-3-nitrobenzoic acid
Compound characteristics
| Compound ID: | R152-0767 |
| Compound Name: | 4-({1-carboxy-2-[(4-methylphenyl)methanesulfonyl]ethyl}amino)-3-nitrobenzoic acid |
| Molecular Weight: | 422.41 |
| Molecular Formula: | C18 H18 N2 O8 S |
| Smiles: | Cc1ccc(CS(CC(C(O)=O)Nc2ccc(cc2[N+]([O-])=O)C(O)=O)(=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3025 |
| logD: | -3.3064 |
| logSw: | -2.2753 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 127.603 |
| InChI Key: | SITAIIVAROKUCL-HNNXBMFYSA-N |