methyl N-benzoyl-2-{4-[chloro(difluoro)methoxy]anilino}-3,3,3-trifluoroalaninate
Chemical Structure Depiction of
methyl N-benzoyl-2-{4-[chloro(difluoro)methoxy]anilino}-3,3,3-trifluoroalaninate
methyl N-benzoyl-2-{4-[chloro(difluoro)methoxy]anilino}-3,3,3-trifluoroalaninate
Compound characteristics
| Compound ID: | 8012-1225 |
| Compound Name: | methyl N-benzoyl-2-{4-[chloro(difluoro)methoxy]anilino}-3,3,3-trifluoroalaninate |
| Molecular Weight: | 452.76 |
| Molecular Formula: | C18 H14 Cl F5 N2 O4 |
| Smiles: | COC(C(C(F)(F)F)(NC(c1ccccc1)=O)Nc1ccc(cc1)OC(F)(F)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5728 |
| logD: | 3.3389 |
| logSw: | -4.779 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.198 |
| InChI Key: | KCMPZDRPWUKMKK-INIZCTEOSA-N |