N-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Chemical Structure Depiction of
N-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
N-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | D257-0800 |
| Compound Name: | N-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide |
| Molecular Weight: | 447.94 |
| Molecular Formula: | C21 H22 Cl N3 O4 S |
| Smiles: | CC1CCN(CC1)c1ccc(cc1[Cl])NC(CN1C(c2ccccc2S1(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5934 |
| logD: | 3.5928 |
| logSw: | -3.9224 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.485 |
| InChI Key: | XCCPIVGICWOMKQ-UHFFFAOYSA-N |