methyl 2-acetamido-3,3,3-trifluoro-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]alaninate
Chemical Structure Depiction of
methyl 2-acetamido-3,3,3-trifluoro-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]alaninate
methyl 2-acetamido-3,3,3-trifluoro-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]alaninate
Compound characteristics
| Compound ID: | 8013-1510 |
| Compound Name: | methyl 2-acetamido-3,3,3-trifluoro-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]alaninate |
| Molecular Weight: | 431.31 |
| Molecular Formula: | C14 H11 F6 N3 O4 S |
| Smiles: | CC(NC(C(=O)OC)(C(F)(F)F)Nc1nc2ccc(cc2s1)OC(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0511 |
| logD: | 3.8947 |
| logSw: | -4.2713 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.57 |
| InChI Key: | HRQBVDHBRPKBQB-GFCCVEGCSA-N |