2-[(2-oxo-2-{[2-(4-sulfamoylphenyl)ethyl]amino}ethyl)sulfanyl]pyridine-3-carboxylic acid
Chemical Structure Depiction of
2-[(2-oxo-2-{[2-(4-sulfamoylphenyl)ethyl]amino}ethyl)sulfanyl]pyridine-3-carboxylic acid
2-[(2-oxo-2-{[2-(4-sulfamoylphenyl)ethyl]amino}ethyl)sulfanyl]pyridine-3-carboxylic acid
Compound characteristics
| Compound ID: | K786-0146 |
| Compound Name: | 2-[(2-oxo-2-{[2-(4-sulfamoylphenyl)ethyl]amino}ethyl)sulfanyl]pyridine-3-carboxylic acid |
| Molecular Weight: | 395.45 |
| Molecular Formula: | C16 H17 N3 O5 S2 |
| Smiles: | C(CNC(CSc1c(cccn1)C(O)=O)=O)c1ccc(cc1)S(N)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.0964 |
| logD: | -2.0018 |
| logSw: | -2.334 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 112.47 |
| InChI Key: | JPCRJHBUVUPQGY-UHFFFAOYSA-N |