5-amino-N-[2-(4-methylphenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-N-[2-(4-methylphenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxamide
5-amino-N-[2-(4-methylphenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | K236-0101 |
| Compound Name: | 5-amino-N-[2-(4-methylphenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 389.38 |
| Molecular Formula: | C19 H18 F3 N5 O |
| Smiles: | Cc1ccc(CCNC(c2c(N)n(c3cccc(c3)C(F)(F)F)nn2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.974 |
| logD: | 2.974 |
| logSw: | -3.3048 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 70.587 |
| InChI Key: | UMCXIIXBPYBAGP-UHFFFAOYSA-N |