methyl 2-acetamido-3,3,3-trifluoro-N-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-benzothiazol-2-yl]alaninate
Chemical Structure Depiction of
methyl 2-acetamido-3,3,3-trifluoro-N-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-benzothiazol-2-yl]alaninate
methyl 2-acetamido-3,3,3-trifluoro-N-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-benzothiazol-2-yl]alaninate
Compound characteristics
| Compound ID: | 8013-7568 |
| Compound Name: | methyl 2-acetamido-3,3,3-trifluoro-N-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-1,3-benzothiazol-2-yl]alaninate |
| Molecular Weight: | 513.34 |
| Molecular Formula: | C16 H12 F9 N3 O4 S |
| Smiles: | CC(NC(C(=O)OC)(C(F)(F)F)Nc1nc2ccc(cc2s1)C(C(F)(F)F)(C(F)(F)F)O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0961 |
| logD: | 3.9399 |
| logSw: | -4.2562 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 79.701 |
| InChI Key: | ISYIXABXAGNFTK-CYBMUJFWSA-N |