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919362-86-0 | Benzamide, N-[6-(5-isoquinolinyl)-2-naphthalenyl]-4-methoxy-
CAS No: 919362-86-0 Catalog No: AG006JFF MDL No:
Product Description
Catalog Number:
AG006JFF
Chemical Name:
Benzamide, N-[6-(5-isoquinolinyl)-2-naphthalenyl]-4-methoxy-
CAS Number:
919362-86-0
Molecular Formula:
C27H20N2O2
Molecular Weight:
404.4599
IUPAC Name:
N-(6-isoquinolin-5-ylnaphthalen-2-yl)-4-methoxybenzamide
InChI:
InChI=1S/C27H20N2O2/c1-31-24-11-8-18(9-12-24)27(30)29-23-10-7-19-15-21(6-5-20(19)16-23)25-4-2-3-22-17-28-14-13-26(22)25/h2-17H,1H3,(H,29,30)
InChI Key:
SQXAIAJJEDMUCO-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)Nc1ccc2c(c1)ccc(c2)c1cccc2c1ccnc2
Properties
Complexity:
602
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.152g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
404.469g/mol
Monoisotopic Mass:
404.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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