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919363-04-5 | 1-Naphthalenecarboxamide, 6-(5-isoquinolinyl)-N-(2-methoxyethyl)-
CAS No: 919363-04-5 Catalog No: AG0066R5 MDL No:
Product Description
Catalog Number:
AG0066R5
Chemical Name:
1-Naphthalenecarboxamide, 6-(5-isoquinolinyl)-N-(2-methoxyethyl)-
CAS Number:
919363-04-5
Molecular Formula:
C23H20N2O2
Molecular Weight:
356.4171
IUPAC Name:
6-isoquinolin-5-yl-N-(2-methoxyethyl)naphthalene-1-carboxamide
InChI:
InChI=1S/C23H20N2O2/c1-27-13-12-25-23(26)22-7-2-4-16-14-17(8-9-20(16)22)19-6-3-5-18-15-24-11-10-21(18)19/h2-11,14-15H,12-13H2,1H3,(H,25,26)
InChI Key:
CIVBNYQSPBANAS-UHFFFAOYSA-N
SMILES:
COCCNC(=O)c1cccc2c1ccc(c2)c1cccc2c1ccnc2
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.152g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
356.425g/mol
Monoisotopic Mass:
356.152g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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