AC1O1KAQ
5-(4-bromophenyl)-N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
Also Known As: AK-968/41026090|5-(4-bromophenyl)-N-{3-(4-ethoxyphenoxy)-5-nitrophenyl}-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide|5-(4-bromophenyl)-N-(3-(4-ethoxyphenoxy)-5-nitrophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide|5-(4-bromophenyl)-N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide|5-(4-bromophenyl)-N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
| Molecular Formula | C28H23BrF3N5O5 |
|---|---|
| Molecular Weight | 645.0835 g/mol |
| LogP | 7.6574 |
| Topological Polar Surface Area | 120.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 645.0835 |
| Monoisotopic Mass | 645.0835 |
| Heavy Atoms | 42 |
| Complexity | 1609.9172 |
Chemical Identifiers
| CAS Number | 445246-17-3 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=C4NC(CC(N4N=C3)C(F)(F)F)C5=CC=C(C=C5)Br |
Product Overview
AC1O1KAQ (CAS 445246-17-3), with molecular formula C28H23BrF3N5O5 and molecular weight 645.0835 g/mol. IUPAC: 5-(4-bromophenyl)-N-[3-(4-ethoxyphenoxy)-5-nitrophenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
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