N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamide
Compound characteristics
| Compound ID: | E022-1318 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamide |
| Molecular Weight: | 400.5 |
| Molecular Formula: | C21 H24 N2 O4 S |
| Smiles: | COc1ccc(CCNC(CCCN2C(c3ccccc3S2)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.2475 |
| logD: | 1.2475 |
| logSw: | -2.3356 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.179 |
| InChI Key: | IGSXCJDBFWZWRU-UHFFFAOYSA-N |