6-[(2-cyanoethyl)(methyl)sulfamoyl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Chemical Structure Depiction of
6-[(2-cyanoethyl)(methyl)sulfamoyl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
6-[(2-cyanoethyl)(methyl)sulfamoyl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Compound characteristics
| Compound ID: | K511-0008 |
| Compound Name: | 6-[(2-cyanoethyl)(methyl)sulfamoyl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid |
| Molecular Weight: | 335.34 |
| Molecular Formula: | C14 H13 N3 O5 S |
| Smiles: | CN(CCC#N)S(c1ccc2c(c1)C(C(=CN2)C(O)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.2032 |
| logD: | -2.8804 |
| logSw: | -2.506 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.072 |
| InChI Key: | MDGJRSHQDPFPMW-UHFFFAOYSA-N |