5-{2-[(1,3-benzothiazol-2-yl)sulfanyl]acetamido}-2-chlorobenzoic acid
Chemical Structure Depiction of
5-{2-[(1,3-benzothiazol-2-yl)sulfanyl]acetamido}-2-chlorobenzoic acid
5-{2-[(1,3-benzothiazol-2-yl)sulfanyl]acetamido}-2-chlorobenzoic acid
Compound characteristics
| Compound ID: | Y508-8405 |
| Compound Name: | 5-{2-[(1,3-benzothiazol-2-yl)sulfanyl]acetamido}-2-chlorobenzoic acid |
| Molecular Weight: | 378.85 |
| Molecular Formula: | C16 H11 Cl N2 O3 S2 |
| Smiles: | C(C(Nc1ccc(c(c1)C(O)=O)[Cl])=O)Sc1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 4.5433 |
| logD: | 0.7402 |
| logSw: | -4.456 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.606 |
| InChI Key: | FMWAKULYQKGNCU-UHFFFAOYSA-N |