4-{2-[(1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoic acid
Chemical Structure Depiction of
4-{2-[(1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoic acid
4-{2-[(1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoic acid
Compound characteristics
| Compound ID: | 2806-0127 |
| Compound Name: | 4-{2-[(1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoic acid |
| Molecular Weight: | 344.41 |
| Molecular Formula: | C16 H12 N2 O3 S2 |
| Smiles: | C(C(Nc1ccc(cc1)C(O)=O)=O)Sc1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 4.0475 |
| logD: | 1.6523 |
| logSw: | -4.2201 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.606 |
| InChI Key: | ARVQDURBWHSEPA-UHFFFAOYSA-N |