methyl 3,3,3-trifluoro-2-(2-phenoxyacetamido)-N-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]alaninate
Chemical Structure Depiction of
methyl 3,3,3-trifluoro-2-(2-phenoxyacetamido)-N-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]alaninate
methyl 3,3,3-trifluoro-2-(2-phenoxyacetamido)-N-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]alaninate
Compound characteristics
| Compound ID: | 8602-0341 |
| Compound Name: | methyl 3,3,3-trifluoro-2-(2-phenoxyacetamido)-N-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]alaninate |
| Molecular Weight: | 481.49 |
| Molecular Formula: | C22 H22 F3 N3 O4 S |
| Smiles: | CC(C)c1ccc2c(c1)sc(NC(C(=O)OC)(C(F)(F)F)NC(COc1ccccc1)=O)n2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8145 |
| logD: | 5.5417 |
| logSw: | -5.5297 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.748 |
| InChI Key: | MHEODOLURDJDRT-OAQYLSRUSA-N |