4-[acetyl(2-oxo-2H-naphtho[2,1-d][1,3]oxathiol-5-yl)sulfamoyl]benzoic acid
Chemical Structure Depiction of
4-[acetyl(2-oxo-2H-naphtho[2,1-d][1,3]oxathiol-5-yl)sulfamoyl]benzoic acid
4-[acetyl(2-oxo-2H-naphtho[2,1-d][1,3]oxathiol-5-yl)sulfamoyl]benzoic acid
Compound characteristics
| Compound ID: | 7202-3141 |
| Compound Name: | 4-[acetyl(2-oxo-2H-naphtho[2,1-d][1,3]oxathiol-5-yl)sulfamoyl]benzoic acid |
| Molecular Weight: | 443.45 |
| Molecular Formula: | C20 H13 N O7 S2 |
| Smiles: | CC(N(c1cc2c(c3ccccc13)OC(=O)S2)S(c1ccc(cc1)C(O)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5158 |
| logD: | 0.458 |
| logSw: | -4.0566 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.878 |
| InChI Key: | USBMLYSSRYGLKG-UHFFFAOYSA-N |