ethyl 2-{4-[chloro(difluoro)methoxy]anilino}-3,3,3-trifluoro-N-pentanoylalaninate
Chemical Structure Depiction of
ethyl 2-{4-[chloro(difluoro)methoxy]anilino}-3,3,3-trifluoro-N-pentanoylalaninate
ethyl 2-{4-[chloro(difluoro)methoxy]anilino}-3,3,3-trifluoro-N-pentanoylalaninate
Compound characteristics
| Compound ID: | 8012-0618 |
| Compound Name: | ethyl 2-{4-[chloro(difluoro)methoxy]anilino}-3,3,3-trifluoro-N-pentanoylalaninate |
| Molecular Weight: | 446.8 |
| Molecular Formula: | C17 H20 Cl F5 N2 O4 |
| Smiles: | CCCCC(NC(C(=O)OCC)(C(F)(F)F)Nc1ccc(cc1)OC(F)(F)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7616 |
| logD: | 4.5101 |
| logSw: | -4.6926 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.836 |
| InChI Key: | JVOYRLIEXFZYBW-HNNXBMFYSA-N |