N-{2-[(2-amino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-3-bromobenzamide
Chemical Structure Depiction of
N-{2-[(2-amino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-3-bromobenzamide
N-{2-[(2-amino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-3-bromobenzamide
Compound characteristics
| Compound ID: | D336-6045 |
| Compound Name: | N-{2-[(2-amino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-3-bromobenzamide |
| Molecular Weight: | 422.32 |
| Molecular Formula: | C16 H12 Br N3 O2 S2 |
| Smiles: | C(C(N)=O)Sc1nc2ccc(cc2s1)NC(c1cccc(c1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8274 |
| logD: | 3.8227 |
| logSw: | -4.229 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 65.799 |
| InChI Key: | BVKJTQLTZGZYNJ-UHFFFAOYSA-N |