4-[butanoyl(2-oxo-2H-1,3-benzoxathiol-5-yl)sulfamoyl]benzoic acid
Chemical Structure Depiction of
4-[butanoyl(2-oxo-2H-1,3-benzoxathiol-5-yl)sulfamoyl]benzoic acid
4-[butanoyl(2-oxo-2H-1,3-benzoxathiol-5-yl)sulfamoyl]benzoic acid
Compound characteristics
| Compound ID: | 7202-3153 |
| Compound Name: | 4-[butanoyl(2-oxo-2H-1,3-benzoxathiol-5-yl)sulfamoyl]benzoic acid |
| Molecular Weight: | 421.45 |
| Molecular Formula: | C18 H15 N O7 S2 |
| Smiles: | CCCC(N(c1ccc2c(c1)SC(=O)O2)S(c1ccc(cc1)C(O)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.378 |
| logD: | 0.3202 |
| logSw: | -3.8039 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.771 |
| InChI Key: | SPLJRXWDYFIMNP-UHFFFAOYSA-N |