3-bromo-N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
3-bromo-N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
3-bromo-N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | 1890-0919 |
| Compound Name: | 3-bromo-N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 648.41 |
| Molecular Formula: | C26 H17 Br F3 N5 O5 S |
| Smiles: | CCOc1ccc(cc1)Oc1cc(cc(c1)[N+]([O-])=O)NC(c1c(c2nc(cc(C(F)(F)F)n2n1)c1cccs1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 7.5113 |
| logD: | 7.4897 |
| logSw: | -5.5639 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.077 |
| InChI Key: | UBDPGYFRDWJUJW-UHFFFAOYSA-N |