N-[(pyridin-4-yl)methyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Chemical Structure Depiction of
N-[(pyridin-4-yl)methyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
N-[(pyridin-4-yl)methyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | D257-0463 |
| Compound Name: | N-[(pyridin-4-yl)methyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide |
| Molecular Weight: | 331.35 |
| Molecular Formula: | C15 H13 N3 O4 S |
| Smiles: | C(c1ccncc1)NC(CN1C(c2ccccc2S1(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.2939 |
| logD: | -0.2973 |
| logSw: | -2.0491 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.083 |
| InChI Key: | LROPMOZEBHVVQW-UHFFFAOYSA-N |