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41957-56-6 | N-(1,2,3,4-TETRAHYDRO-2-(3-PHENYLPROPYL)-5-ISOQUINOLINYL)-3,4,5-TRIMETHOXYBENZAMIDE
CAS No: 41957-56-6 Catalog No: AG007436 MDL No:
Product Description
Catalog Number:
AG007436
Chemical Name:
N-(1,2,3,4-TETRAHYDRO-2-(3-PHENYLPROPYL)-5-ISOQUINOLINYL)-3,4,5-TRIMETHOXYBENZAMIDE
CAS Number:
41957-56-6
Molecular Formula:
C28H32N2O4
Molecular Weight:
460.5647
IUPAC Name:
3,4,5-trimethoxy-N-[2-(3-phenylpropyl)-3,4-dihydro-1H-isoquinolin-5-yl]benzamide
InChI:
InChI=1S/C28H32N2O4/c1-32-25-17-22(18-26(33-2)27(25)34-3)28(31)29-24-13-7-12-21-19-30(16-14-23(21)24)15-8-11-20-9-5-4-6-10-20/h4-7,9-10,12-13,17-18H,8,11,14-16,19H2,1-3H3,(H,29,31)
InChI Key:
SNIORNWFLWALNX-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC)OC)C(=O)Nc1cccc2c1CCN(C2)CCCc1ccccc1
Properties
Complexity:
612
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
460.236g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
460.574g/mol
Monoisotopic Mass:
460.236g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
60A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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