N-[2-(morpholin-4-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-(morpholin-4-yl)-5-(trifluoromethyl)phenyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
N-[2-(morpholin-4-yl)-5-(trifluoromethyl)phenyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | D257-0796 |
| Compound Name: | N-[2-(morpholin-4-yl)-5-(trifluoromethyl)phenyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide |
| Molecular Weight: | 469.44 |
| Molecular Formula: | C20 H18 F3 N3 O5 S |
| Smiles: | C1COCCN1c1ccc(cc1NC(CN1C(c2ccccc2S1(=O)=O)=O)=O)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 2.2459 |
| logD: | 2.0963 |
| logSw: | -3.2488 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.695 |
| InChI Key: | JCNMGRVOQBJIII-UHFFFAOYSA-N |