N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(1,3-benzothiazol-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(1,3-benzothiazol-2-yl)sulfanyl]acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(1,3-benzothiazol-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8016-0800 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(1,3-benzothiazol-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 358.44 |
| Molecular Formula: | C17 H14 N2 O3 S2 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(CSc1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7937 |
| logD: | 3.7937 |
| logSw: | -4.0257 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.635 |
| InChI Key: | XKFISASJMNULJG-UHFFFAOYSA-N |