ethyl N-[(1,3-benzothiazol-2-yl)carbamoyl]-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)alaninate
Chemical Structure Depiction of
ethyl N-[(1,3-benzothiazol-2-yl)carbamoyl]-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)alaninate
ethyl N-[(1,3-benzothiazol-2-yl)carbamoyl]-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)alaninate
Compound characteristics
| Compound ID: | 8009-3018 |
| Compound Name: | ethyl N-[(1,3-benzothiazol-2-yl)carbamoyl]-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)alaninate |
| Molecular Weight: | 445.34 |
| Molecular Formula: | C15 H13 F6 N3 O4 S |
| Smiles: | CCOC(C(C(F)(F)F)(NC(Nc1nc2ccccc2s1)=O)OCC(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8626 |
| logD: | 4.8589 |
| logSw: | -4.5316 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.779 |
| InChI Key: | CMPKDCCZKVNLJH-CQSZACIVSA-N |