3-bromo-N-[3-(4-bromophenoxy)-5-nitrophenyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
3-bromo-N-[3-(4-bromophenoxy)-5-nitrophenyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
3-bromo-N-[3-(4-bromophenoxy)-5-nitrophenyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | 1762-0506 |
| Compound Name: | 3-bromo-N-[3-(4-bromophenoxy)-5-nitrophenyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 683.26 |
| Molecular Formula: | C24 H12 Br2 F3 N5 O4 S |
| Smiles: | c1cc(c2cc(C(F)(F)F)n3c(c(c(C(Nc4cc(cc(c4)Oc4ccc(cc4)[Br])[N+]([O-])=O)=O)n3)[Br])n2)sc1 |
| Stereo: | ACHIRAL |
| logP: | 7.9762 |
| logD: | 7.9546 |
| logSw: | -6.169 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.953 |
| InChI Key: | PTVNJTJEOMNAQI-UHFFFAOYSA-N |