N-{2-[(2-anilino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-(3,4-dimethylphenoxy)acetamide
Chemical Structure Depiction of
N-{2-[(2-anilino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-(3,4-dimethylphenoxy)acetamide
N-{2-[(2-anilino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-(3,4-dimethylphenoxy)acetamide
Compound characteristics
| Compound ID: | D336-1876 |
| Compound Name: | N-{2-[(2-anilino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-(3,4-dimethylphenoxy)acetamide |
| Molecular Weight: | 477.6 |
| Molecular Formula: | C25 H23 N3 O3 S2 |
| Smiles: | Cc1ccc(cc1C)OCC(Nc1ccc2c(c1)sc(n2)SCC(Nc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0185 |
| logD: | 6.0185 |
| logSw: | -5.4149 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.575 |
| InChI Key: | OQXDXXKKGVBIKE-UHFFFAOYSA-N |