5-amino-N-[(4-methoxyphenyl)methyl]-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-N-[(4-methoxyphenyl)methyl]-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole-4-carboxamide
5-amino-N-[(4-methoxyphenyl)methyl]-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | K236-0170 |
| Compound Name: | 5-amino-N-[(4-methoxyphenyl)methyl]-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 407.35 |
| Molecular Formula: | C18 H16 F3 N5 O3 |
| Smiles: | COc1ccc(CNC(c2c(N)n(c3ccc(cc3)OC(F)(F)F)nn2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.9391 |
| logD: | 2.9391 |
| logSw: | -3.5113 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.226 |
| InChI Key: | PXYUNIWCKDIQLQ-UHFFFAOYSA-N |