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27461-31-0 | Benzamide,3,4,5-trimethoxy-N-(1,2,3,4-tetrahydro-2-methyl-5-isoquinolinyl)-
CAS No: 27461-31-0 Catalog No: AG007KUR MDL No:
Product Description
Catalog Number:
AG007KUR
Chemical Name:
Benzamide,3,4,5-trimethoxy-N-(1,2,3,4-tetrahydro-2-methyl-5-isoquinolinyl)-
CAS Number:
27461-31-0
Molecular Formula:
C20H24N2O4
Molecular Weight:
356.4156
IUPAC Name:
3,4,5-trimethoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide
InChI:
InChI=1S/C20H24N2O4/c1-22-9-8-15-13(12-22)6-5-7-16(15)21-20(23)14-10-17(24-2)19(26-4)18(11-14)25-3/h5-7,10-11H,8-9,12H2,1-4H3,(H,21,23)
InChI Key:
GBHVKNBSZXPQDM-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC)OC)C(=O)Nc1cccc2c1CCN(C2)C
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.174g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
356.422g/mol
Monoisotopic Mass:
356.174g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
60A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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