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37481-34-8 | 1,2,3,4-TETRAHYDRO-2-METHYL-7-(3,4,5-TRIMETHOXYBENZAMIDO)ISOQUINOLINE
CAS No: 37481-34-8 Catalog No: AG0079MU MDL No:
Product Description
Catalog Number:
AG0079MU
Chemical Name:
1,2,3,4-TETRAHYDRO-2-METHYL-7-(3,4,5-TRIMETHOXYBENZAMIDO)ISOQUINOLINE
CAS Number:
37481-34-8
Molecular Formula:
C20H24N2O4
Molecular Weight:
356.4156
IUPAC Name:
3,4,5-trimethoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
InChI:
InChI=1S/C20H24N2O4/c1-22-8-7-13-5-6-16(9-15(13)12-22)21-20(23)14-10-17(24-2)19(26-4)18(11-14)25-3/h5-6,9-11H,7-8,12H2,1-4H3,(H,21,23)
InChI Key:
AHONRCXNXUBHGE-UHFFFAOYSA-N
SMILES:
COc1c(OC)cc(cc1OC)C(=O)Nc1ccc2c(c1)CN(CC2)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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