3-bromo-N-{2-[(propan-2-yl)sulfanyl]-1,3-benzothiazol-6-yl}benzene-1-sulfonamide
Chemical Structure Depiction of
3-bromo-N-{2-[(propan-2-yl)sulfanyl]-1,3-benzothiazol-6-yl}benzene-1-sulfonamide
3-bromo-N-{2-[(propan-2-yl)sulfanyl]-1,3-benzothiazol-6-yl}benzene-1-sulfonamide
Compound characteristics
| Compound ID: | M070-2057 |
| Compound Name: | 3-bromo-N-{2-[(propan-2-yl)sulfanyl]-1,3-benzothiazol-6-yl}benzene-1-sulfonamide |
| Molecular Weight: | 443.4 |
| Molecular Formula: | C16 H15 Br N2 O2 S3 |
| Smiles: | CC(C)Sc1nc2ccc(cc2s1)NS(c1cccc(c1)[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6616 |
| logD: | 5.5315 |
| logSw: | -5.5801 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.97 |
| InChI Key: | SJCSKLQSYKKWNB-UHFFFAOYSA-N |