N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | 2123-0068 |
| Compound Name: | N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 570.51 |
| Molecular Formula: | C25 H17 F3 N6 O5 S |
| Smiles: | CCOc1ccc(cc1)Oc1cc(cc(c1)[N+]([O-])=O)NC(c1nc2nc(cc(C(F)(F)F)n2n1)c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2908 |
| logD: | 6.2866 |
| logSw: | -5.4013 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.144 |
| InChI Key: | PAUOODSRMMIXJI-UHFFFAOYSA-N |