methyl 2-acetamido-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,3,3-trifluoroalaninate
Chemical Structure Depiction of
methyl 2-acetamido-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,3,3-trifluoroalaninate
methyl 2-acetamido-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,3,3-trifluoroalaninate
Compound characteristics
| Compound ID: | 8012-1989 |
| Compound Name: | methyl 2-acetamido-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,3,3-trifluoroalaninate |
| Molecular Weight: | 391.37 |
| Molecular Formula: | C15 H16 F3 N3 O4 S |
| Smiles: | CCOc1ccc2c(c1)sc(NC(C(=O)OC)(C(F)(F)F)NC(C)=O)n2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3149 |
| logD: | 3.1584 |
| logSw: | -3.6374 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.756 |
| InChI Key: | KXWCCYHBXGCBIV-CQSZACIVSA-N |