N-[4-(3-nitro-5-phenoxyphenoxy)phenyl]-5-phenyl-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
N-[4-(3-nitro-5-phenoxyphenoxy)phenyl]-5-phenyl-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
N-[4-(3-nitro-5-phenoxyphenoxy)phenyl]-5-phenyl-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | 1890-0006 |
| Compound Name: | N-[4-(3-nitro-5-phenoxyphenoxy)phenyl]-5-phenyl-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 612.52 |
| Molecular Formula: | C31 H19 F3 N6 O5 |
| Smiles: | c1ccc(cc1)c1cc(C(F)(F)F)n2c(n1)nc(C(Nc1ccc(cc1)Oc1cc(cc(c1)Oc1ccccc1)[N+]([O-])=O)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 7.6172 |
| logD: | 7.6172 |
| logSw: | -6.1648 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.749 |
| InChI Key: | LHYUVXDTXXHTBN-UHFFFAOYSA-N |