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37481-32-6 | Benzamide,3,4-dimethoxy-N-(1,2,3,4-tetrahydro-2-propyl-5-isoquinolinyl)-
CAS No: 37481-32-6 Catalog No: AG0079MV MDL No:
Product Description
Catalog Number:
AG0079MV
Chemical Name:
Benzamide,3,4-dimethoxy-N-(1,2,3,4-tetrahydro-2-propyl-5-isoquinolinyl)-
CAS Number:
37481-32-6
Molecular Formula:
C21H26N2O3
Molecular Weight:
354.4427
IUPAC Name:
3,4-dimethoxy-N-(2-propyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide
InChI:
InChI=1S/C21H26N2O3/c1-4-11-23-12-10-17-16(14-23)6-5-7-18(17)22-21(24)15-8-9-19(25-2)20(13-15)26-3/h5-9,13H,4,10-12,14H2,1-3H3,(H,22,24)
InChI Key:
DQTVKTMIXALQNO-UHFFFAOYSA-N
SMILES:
CCCN1CCc2c(C1)cccc2NC(=O)c1ccc(c(c1)OC)OC
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.194g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
354.45g/mol
Monoisotopic Mass:
354.194g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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