N-{2-[(2-anilino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-3-methylbenzamide
Chemical Structure Depiction of
N-{2-[(2-anilino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-3-methylbenzamide
N-{2-[(2-anilino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-3-methylbenzamide
Compound characteristics
| Compound ID: | D336-1870 |
| Compound Name: | N-{2-[(2-anilino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-3-methylbenzamide |
| Molecular Weight: | 433.55 |
| Molecular Formula: | C23 H19 N3 O2 S2 |
| Smiles: | Cc1cccc(c1)C(Nc1ccc2c(c1)sc(n2)SCC(Nc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3189 |
| logD: | 5.3169 |
| logSw: | -5.3237 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.289 |
| InChI Key: | ZTFUEQRNNOUSAQ-UHFFFAOYSA-N |