5-amino-N-[2-(4-chlorophenyl)ethyl]-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-N-[2-(4-chlorophenyl)ethyl]-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole-4-carboxamide
5-amino-N-[2-(4-chlorophenyl)ethyl]-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | K236-0171 |
| Compound Name: | 5-amino-N-[2-(4-chlorophenyl)ethyl]-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 425.8 |
| Molecular Formula: | C18 H15 Cl F3 N5 O2 |
| Smiles: | C(CNC(c1c(N)n(c2ccc(cc2)OC(F)(F)F)nn1)=O)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.485 |
| logD: | 3.485 |
| logSw: | -4.0492 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.524 |
| InChI Key: | XGMJWTAOWZRDJL-UHFFFAOYSA-N |