AC1NY0OO
3-(1-benzofuran-2-yl)-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
Also Known As: pyrazolo[3,4-b]azepine,3-1,4,5,6,7,8-hexahydro-1-[3- phenyl]-|Pyrazolo[3,4-b]azepine,3- -1,4,5,6,7,8-hexahydro-1-[3- phenyl]-|10-benzofuran-2-yl-8-[3-(trifluoromethyl)phenyl]-6,8,9-triazabicyclo[5.3.0]deca-6,10-diene|3-(1-benzo[b]furan-2-yl)-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydropyrazolo[3,4-b]azepine|3-(1-benzofuran-2-yl)-1-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]azepine
| Molecular Formula | C22H18F3N3O |
|---|---|
| Molecular Weight | 397.1402 g/mol |
| LogP | 6.0525 |
| Topological Polar Surface Area | 42.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 397.1402 |
| Monoisotopic Mass | 397.1402 |
| Heavy Atoms | 29 |
| Complexity | 1156.7013 |
Chemical Identifiers
| CAS Number | 575431-40-2 |
|---|---|
| SMILES | C1CCNC2=C(C1)C(=NN2C3=CC=CC(=C3)C(F)(F)F)C4=CC5=CC=CC=C5O4 |
Product Overview
AC1NY0OO (CAS 575431-40-2), with molecular formula C22H18F3N3O and molecular weight 397.1402 g/mol. IUPAC: 3-(1-benzofuran-2-yl)-1-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine.
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