N-[(5-bromo-2-methoxyphenyl)methyl]-2-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamide
Chemical Structure Depiction of
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamide
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamide
Compound characteristics
| Compound ID: | E022-1215 |
| Compound Name: | N-[(5-bromo-2-methoxyphenyl)methyl]-2-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamide |
| Molecular Weight: | 435.34 |
| Molecular Formula: | C19 H19 Br N2 O3 S |
| Smiles: | CCC(C(NCc1cc(ccc1OC)[Br])=O)N1C(c2ccccc2S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0292 |
| logD: | 4.0292 |
| logSw: | -4.1725 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.428 |
| InChI Key: | MOPPYZOPFBBXIK-HNNXBMFYSA-N |