N-{2-[(2-anilino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-4-bromobenzamide
Chemical Structure Depiction of
N-{2-[(2-anilino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-4-bromobenzamide
N-{2-[(2-anilino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-4-bromobenzamide
Compound characteristics
| Compound ID: | D336-1900 |
| Compound Name: | N-{2-[(2-anilino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-4-bromobenzamide |
| Molecular Weight: | 498.42 |
| Molecular Formula: | C22 H16 Br N3 O2 S2 |
| Smiles: | C(C(Nc1ccccc1)=O)Sc1nc2ccc(cc2s1)NC(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.7818 |
| logD: | 5.7766 |
| logSw: | -5.9828 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.289 |
| InChI Key: | IRWGSZNDOKPBAC-UHFFFAOYSA-N |