N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamide
Compound characteristics
| Compound ID: | E022-1014 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamide |
| Molecular Weight: | 400.5 |
| Molecular Formula: | C21 H24 N2 O4 S |
| Smiles: | CCC(C(NCCc1ccc(c(c1)OC)OC)=O)N1C(c2ccccc2S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8265 |
| logD: | 2.8265 |
| logSw: | -3.4859 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.9 |
| InChI Key: | GZBGNZUXRDBFFZ-INIZCTEOSA-N |