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89474-26-0 | 2(1H)-Isoquinolineacetamide, N-[1,1'-biphenyl]-3-yl-3,4-dihydro-
CAS No: 89474-26-0 Catalog No: AG00426L MDL No:
Product Description
Catalog Number:
AG00426L
Chemical Name:
2(1H)-Isoquinolineacetamide, N-[1,1'-biphenyl]-3-yl-3,4-dihydro-
CAS Number:
89474-26-0
Molecular Formula:
C23H22N2O
Molecular Weight:
342.4336
IUPAC Name:
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-phenylphenyl)acetamide
InChI:
InChI=1S/C23H22N2O/c26-23(17-25-14-13-19-9-4-5-10-21(19)16-25)24-22-12-6-11-20(15-22)18-7-2-1-3-8-18/h1-12,15H,13-14,16-17H2,(H,24,26)
InChI Key:
WGCUXYWZLLINCS-UHFFFAOYSA-N
SMILES:
O=C(CN1CCc2c(C1)cccc2)Nc1cccc(c1)c1ccccc1
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.173g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
342.442g/mol
Monoisotopic Mass:
342.173g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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