ethyl 3,3,3-trifluoro-N-(4-fluorobenzoyl)-2-[(4H-1,2,4-triazol-4-yl)amino]alaninate
Chemical Structure Depiction of
ethyl 3,3,3-trifluoro-N-(4-fluorobenzoyl)-2-[(4H-1,2,4-triazol-4-yl)amino]alaninate
ethyl 3,3,3-trifluoro-N-(4-fluorobenzoyl)-2-[(4H-1,2,4-triazol-4-yl)amino]alaninate
Compound characteristics
| Compound ID: | 5256-1520 |
| Compound Name: | ethyl 3,3,3-trifluoro-N-(4-fluorobenzoyl)-2-[(4H-1,2,4-triazol-4-yl)amino]alaninate |
| Molecular Weight: | 375.28 |
| Molecular Formula: | C14 H13 F4 N5 O3 |
| Smiles: | CCOC(C(C(F)(F)F)(NC(c1ccc(cc1)F)=O)Nn1cnnc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3458 |
| logD: | 0.2873 |
| logSw: | -2.1759 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.143 |
| InChI Key: | KOAWHMIANRUDSN-CYBMUJFWSA-N |