4-[butanoyl(2-oxo-2H-naphtho[2,1-d][1,3]oxathiol-5-yl)sulfamoyl]benzoic acid
Chemical Structure Depiction of
4-[butanoyl(2-oxo-2H-naphtho[2,1-d][1,3]oxathiol-5-yl)sulfamoyl]benzoic acid
4-[butanoyl(2-oxo-2H-naphtho[2,1-d][1,3]oxathiol-5-yl)sulfamoyl]benzoic acid
Compound characteristics
| Compound ID: | 7202-3144 |
| Compound Name: | 4-[butanoyl(2-oxo-2H-naphtho[2,1-d][1,3]oxathiol-5-yl)sulfamoyl]benzoic acid |
| Molecular Weight: | 471.51 |
| Molecular Formula: | C22 H17 N O7 S2 |
| Smiles: | CCCC(N(c1cc2c(c3ccccc13)OC(=O)S2)S(c1ccc(cc1)C(O)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6787 |
| logD: | 1.6209 |
| logSw: | -4.3817 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.882 |
| InChI Key: | PFLVTUAEEDTLFN-UHFFFAOYSA-N |