N-[2-(propan-2-yl)phenyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Chemical Structure Depiction of
N-[2-(propan-2-yl)phenyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
N-[2-(propan-2-yl)phenyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | C114-0053 |
| Compound Name: | N-[2-(propan-2-yl)phenyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide |
| Molecular Weight: | 358.41 |
| Molecular Formula: | C18 H18 N2 O4 S |
| Smiles: | CC(C)c1ccccc1NC(CN1C(c2ccccc2S1(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0925 |
| logD: | 2.0925 |
| logSw: | -3.108 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.635 |
| InChI Key: | CMXBMGHFPFTQID-UHFFFAOYSA-N |