N-(2,4-dimethylpentan-3-yl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Chemical Structure Depiction of
N-(2,4-dimethylpentan-3-yl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
N-(2,4-dimethylpentan-3-yl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | 6423-0603 |
| Compound Name: | N-(2,4-dimethylpentan-3-yl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide |
| Molecular Weight: | 338.42 |
| Molecular Formula: | C16 H22 N2 O4 S |
| Smiles: | CC(C)C(C(C)C)NC(CN1C(c2ccccc2S1(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1977 |
| logD: | 2.1977 |
| logSw: | -2.9764 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.279 |
| InChI Key: | BNEFJXZSVSTXDM-UHFFFAOYSA-N |