N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamide
Compound characteristics
| Compound ID: | E022-1030 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamide |
| Molecular Weight: | 370.43 |
| Molecular Formula: | C19 H18 N2 O4 S |
| Smiles: | CCC(C(NCc1ccc2c(c1)OCO2)=O)N1C(c2ccccc2S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.049 |
| logD: | 3.049 |
| logSw: | -3.453 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.913 |
| InChI Key: | NXUHNHXYBLGHTI-AWEZNQCLSA-N |