N-[(2,3-dimethoxyphenyl)methyl]-4-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamide
Chemical Structure Depiction of
N-[(2,3-dimethoxyphenyl)methyl]-4-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamide
N-[(2,3-dimethoxyphenyl)methyl]-4-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamide
Compound characteristics
| Compound ID: | E022-1509 |
| Compound Name: | N-[(2,3-dimethoxyphenyl)methyl]-4-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamide |
| Molecular Weight: | 386.47 |
| Molecular Formula: | C20 H22 N2 O4 S |
| Smiles: | COc1cccc(CNC(CCCN2C(c3ccccc3S2)=O)=O)c1OC |
| Stereo: | ACHIRAL |
| logP: | 2.0967 |
| logD: | 2.0967 |
| logSw: | -2.8621 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.424 |
| InChI Key: | KPYFFQIJPUXCAY-UHFFFAOYSA-N |