4-({2-[(1,3-benzothiazol-2-yl)sulfanyl]acetamido}methyl)benzoic acid
Chemical Structure Depiction of
4-({2-[(1,3-benzothiazol-2-yl)sulfanyl]acetamido}methyl)benzoic acid
4-({2-[(1,3-benzothiazol-2-yl)sulfanyl]acetamido}methyl)benzoic acid
Compound characteristics
| Compound ID: | Y508-2765 |
| Compound Name: | 4-({2-[(1,3-benzothiazol-2-yl)sulfanyl]acetamido}methyl)benzoic acid |
| Molecular Weight: | 358.44 |
| Molecular Formula: | C17 H14 N2 O3 S2 |
| Smiles: | C(c1ccc(cc1)C(O)=O)NC(CSc1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7288 |
| logD: | 0.7573 |
| logSw: | -4.0649 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.928 |
| InChI Key: | JVTKGTSDAHCRDK-UHFFFAOYSA-N |