N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | D257-0576 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide |
| Molecular Weight: | 374.37 |
| Molecular Formula: | C17 H14 N2 O6 S |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(CN1C(c2ccccc2S1(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9757 |
| logD: | 0.9757 |
| logSw: | -2.5813 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.771 |
| InChI Key: | REEDOYRYLZBHGN-UHFFFAOYSA-N |