N-(2H-1,3-benzodioxol-5-yl)-4-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-4-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamide
N-(2H-1,3-benzodioxol-5-yl)-4-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamide
Compound characteristics
| Compound ID: | Y042-4293 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-4-(3-oxo-1,2-benzothiazol-2(3H)-yl)butanamide |
| Molecular Weight: | 356.4 |
| Molecular Formula: | C18 H16 N2 O4 S |
| Smiles: | C(CC(Nc1ccc2c(c1)OCO2)=O)CN1C(c2ccccc2S1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0886 |
| logD: | 2.0885 |
| logSw: | -3.1363 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.87 |
| InChI Key: | PEZNFHSJEOCBCI-UHFFFAOYSA-N |