4-[(1-carboxy-2-{[(2-methylphenyl)methyl]sulfanyl}ethyl)amino]-3-nitrobenzoic acid
Chemical Structure Depiction of
4-[(1-carboxy-2-{[(2-methylphenyl)methyl]sulfanyl}ethyl)amino]-3-nitrobenzoic acid
4-[(1-carboxy-2-{[(2-methylphenyl)methyl]sulfanyl}ethyl)amino]-3-nitrobenzoic acid
Compound characteristics
| Compound ID: | R152-0757 |
| Compound Name: | 4-[(1-carboxy-2-{[(2-methylphenyl)methyl]sulfanyl}ethyl)amino]-3-nitrobenzoic acid |
| Molecular Weight: | 390.41 |
| Molecular Formula: | C18 H18 N2 O6 S |
| Smiles: | Cc1ccccc1CSCC(C(O)=O)Nc1ccc(cc1[N+]([O-])=O)C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4811 |
| logD: | -0.8272 |
| logSw: | -3.8678 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.302 |
| InChI Key: | QYXWRPWANXDQJJ-HNNXBMFYSA-N |