4-({2-[(4-acetamidobenzene-1-sulfonyl)amino]-2-carboxyethyl}sulfanyl)-3-nitrobenzoic acid
Chemical Structure Depiction of
4-({2-[(4-acetamidobenzene-1-sulfonyl)amino]-2-carboxyethyl}sulfanyl)-3-nitrobenzoic acid
4-({2-[(4-acetamidobenzene-1-sulfonyl)amino]-2-carboxyethyl}sulfanyl)-3-nitrobenzoic acid
Compound characteristics
| Compound ID: | K781-9918 |
| Compound Name: | 4-({2-[(4-acetamidobenzene-1-sulfonyl)amino]-2-carboxyethyl}sulfanyl)-3-nitrobenzoic acid |
| Molecular Weight: | 483.47 |
| Molecular Formula: | C18 H17 N3 O9 S2 |
| Smiles: | CC(Nc1ccc(cc1)S(NC(CSc1ccc(cc1[N+]([O-])=O)C(O)=O)C(O)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.428 |
| logD: | -2.3875 |
| logSw: | -2.4069 |
| Hydrogen bond acceptors count: | 18 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 155 |
| InChI Key: | VVGRPBKWXZFWAU-AWEZNQCLSA-N |