N-[3-(3-chlorophenoxy)-5-nitrophenyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
N-[3-(3-chlorophenoxy)-5-nitrophenyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
N-[3-(3-chlorophenoxy)-5-nitrophenyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | 8005-2701 |
| Compound Name: | N-[3-(3-chlorophenoxy)-5-nitrophenyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 560.9 |
| Molecular Formula: | C23 H12 Cl F3 N6 O4 S |
| Smiles: | c1cc(cc(c1)[Cl])Oc1cc(cc(c1)[N+]([O-])=O)NC(c1nc2nc(cc(C(F)(F)F)n2n1)c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6318 |
| logD: | 6.6276 |
| logSw: | -6.5374 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.02 |
| InChI Key: | QHIPETIRKNKCTN-UHFFFAOYSA-N |