methyl 2-anilino-3,3,3-trifluoro-N-{[4-(trifluoromethoxy)phenyl]carbamoyl}alaninate
Chemical Structure Depiction of
methyl 2-anilino-3,3,3-trifluoro-N-{[4-(trifluoromethoxy)phenyl]carbamoyl}alaninate
methyl 2-anilino-3,3,3-trifluoro-N-{[4-(trifluoromethoxy)phenyl]carbamoyl}alaninate
Compound characteristics
| Compound ID: | 8012-9604 |
| Compound Name: | methyl 2-anilino-3,3,3-trifluoro-N-{[4-(trifluoromethoxy)phenyl]carbamoyl}alaninate |
| Molecular Weight: | 451.32 |
| Molecular Formula: | C18 H15 F6 N3 O4 |
| Smiles: | COC(C(C(F)(F)F)(NC(Nc1ccc(cc1)OC(F)(F)F)=O)Nc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2501 |
| logD: | 5.2243 |
| logSw: | -5.2791 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 69.849 |
| InChI Key: | KNPBQBVYSPGTJH-INIZCTEOSA-N |