N-[4-(3,5-dinitrophenoxy)phenyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
N-[4-(3,5-dinitrophenoxy)phenyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
N-[4-(3,5-dinitrophenoxy)phenyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | 1762-0067 |
| Compound Name: | N-[4-(3,5-dinitrophenoxy)phenyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 571.45 |
| Molecular Formula: | C23 H12 F3 N7 O6 S |
| Smiles: | c1cc(c2cc(C(F)(F)F)n3c(n2)nc(C(Nc2ccc(cc2)Oc2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)=O)n3)sc1 |
| Stereo: | ACHIRAL |
| logP: | 5.5688 |
| logD: | 5.5688 |
| logSw: | -5.8092 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 127.401 |
| InChI Key: | AOYGNSWGHZBKKQ-UHFFFAOYSA-N |