4-({3-[(1,3-benzothiazol-2-yl)sulfanyl]-4-hydroxyphenyl}sulfamoyl)benzoic acid
Chemical Structure Depiction of
4-({3-[(1,3-benzothiazol-2-yl)sulfanyl]-4-hydroxyphenyl}sulfamoyl)benzoic acid
4-({3-[(1,3-benzothiazol-2-yl)sulfanyl]-4-hydroxyphenyl}sulfamoyl)benzoic acid
Compound characteristics
| Compound ID: | 7202-2964 |
| Compound Name: | 4-({3-[(1,3-benzothiazol-2-yl)sulfanyl]-4-hydroxyphenyl}sulfamoyl)benzoic acid |
| Molecular Weight: | 458.53 |
| Molecular Formula: | C20 H14 N2 O5 S3 |
| Smiles: | c1ccc2c(c1)nc(Sc1cc(ccc1O)NS(c1ccc(cc1)C(O)=O)(=O)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 5.3179 |
| logD: | 2.2601 |
| logSw: | -5.4619 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 94.654 |
| InChI Key: | UPSLYCUVNKUACH-UHFFFAOYSA-N |