3-bromo-N-[3-(3-methylphenoxy)-5-nitrophenyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
3-bromo-N-[3-(3-methylphenoxy)-5-nitrophenyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
3-bromo-N-[3-(3-methylphenoxy)-5-nitrophenyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | 1890-0921 |
| Compound Name: | 3-bromo-N-[3-(3-methylphenoxy)-5-nitrophenyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 618.39 |
| Molecular Formula: | C25 H15 Br F3 N5 O4 S |
| Smiles: | Cc1cccc(c1)Oc1cc(cc(c1)[N+]([O-])=O)NC(c1c(c2nc(cc(C(F)(F)F)n2n1)c1cccs1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 7.5476 |
| logD: | 7.526 |
| logSw: | -5.7113 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.953 |
| InChI Key: | RFJXSIDCUZPPAC-UHFFFAOYSA-N |