AC1NY0OO structure

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

CAS: 575431-40-2
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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