N-[2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Chemical Structure Depiction of
N-[2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
N-[2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | D257-0793 |
| Compound Name: | N-[2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide |
| Molecular Weight: | 467.47 |
| Molecular Formula: | C21 H20 F3 N3 O4 S |
| Smiles: | C1CCN(CC1)c1ccc(cc1NC(CN1C(c2ccccc2S1(=O)=O)=O)=O)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 3.4046 |
| logD: | 3.255 |
| logSw: | -3.9655 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.787 |
| InChI Key: | VLLDXQYFWVIJIH-UHFFFAOYSA-N |