methyl N-acetyl-2-{4-[chloro(difluoro)methoxy]anilino}-3,3,3-trifluoroalaninate
Chemical Structure Depiction of
methyl N-acetyl-2-{4-[chloro(difluoro)methoxy]anilino}-3,3,3-trifluoroalaninate
methyl N-acetyl-2-{4-[chloro(difluoro)methoxy]anilino}-3,3,3-trifluoroalaninate
Compound characteristics
| Compound ID: | 8011-9120 |
| Compound Name: | methyl N-acetyl-2-{4-[chloro(difluoro)methoxy]anilino}-3,3,3-trifluoroalaninate |
| Molecular Weight: | 390.69 |
| Molecular Formula: | C13 H12 Cl F5 N2 O4 |
| Smiles: | CC(NC(C(=O)OC)(C(F)(F)F)Nc1ccc(cc1)OC(F)(F)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0267 |
| logD: | 2.9196 |
| logSw: | -3.5513 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.369 |
| InChI Key: | MSFHLNCVURDBHW-LLVKDONJSA-N |