3-{2-[(1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoic acid
Chemical Structure Depiction of
3-{2-[(1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoic acid
3-{2-[(1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoic acid
Compound characteristics
Compound ID: | 2806-0131 |
Compound Name: | 3-{2-[(1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoic acid |
Molecular Weight: | 344.41 |
Molecular Formula: | C16 H12 N2 O3 S2 |
Smiles: | C(C(Nc1cccc(c1)C(O)=O)=O)Sc1nc2ccccc2s1 |
Stereo: | ACHIRAL |
logP: | 4.3232 |
logD: | 1.4374 |
logSw: | -4.3238 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 60.606 |
InChI Key: | YAKFLPDNDTVXBZ-UHFFFAOYSA-N |