N-(4-bromo-3-methylphenyl)-4-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamide
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-4-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamide
N-(4-bromo-3-methylphenyl)-4-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamide
Compound characteristics
| Compound ID: | E022-1364 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-4-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamide |
| Molecular Weight: | 405.31 |
| Molecular Formula: | C18 H17 Br N2 O2 S |
| Smiles: | Cc1cc(ccc1[Br])NC(CCCN1C(c2ccccc2S1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4301 |
| logD: | 3.4299 |
| logSw: | -3.7379 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.755 |
| InChI Key: | DNBLBNUBWCLHHW-UHFFFAOYSA-N |