N-[4-(cyanomethyl)phenyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Chemical Structure Depiction of
N-[4-(cyanomethyl)phenyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
N-[4-(cyanomethyl)phenyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | 6415-1469 |
| Compound Name: | N-[4-(cyanomethyl)phenyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide |
| Molecular Weight: | 355.37 |
| Molecular Formula: | C17 H13 N3 O4 S |
| Smiles: | C(C#N)c1ccc(cc1)NC(CN1C(c2ccccc2S1(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9174 |
| logD: | 0.9174 |
| logSw: | -2.4598 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.825 |
| InChI Key: | RJMKOSVMPJRVSS-UHFFFAOYSA-N |