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89653-79-2 | Benzamide, 3-bromo-2,6-dimethoxy-N-[1-(phenylmethyl)-4-piperidinyl]-
CAS No: 89653-79-2 Catalog No: AG0043ZK MDL No:
Product Description
Catalog Number:
AG0043ZK
Chemical Name:
Benzamide, 3-bromo-2,6-dimethoxy-N-[1-(phenylmethyl)-4-piperidinyl]-
CAS Number:
89653-79-2
Molecular Formula:
C21H25BrN2O3
Molecular Weight:
433.3388
IUPAC Name:
N-(1-benzylpiperidin-4-yl)-3-bromo-2,6-dimethoxybenzamide
InChI:
InChI=1S/C21H25BrN2O3/c1-26-18-9-8-17(22)20(27-2)19(18)21(25)23-16-10-12-24(13-11-16)14-15-6-4-3-5-7-15/h3-9,16H,10-14H2,1-2H3,(H,23,25)
InChI Key:
KWWPIQRIVFNWOA-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1C(=O)NC1CCN(CC1)Cc1ccccc1)OC)Br
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
432.105g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
433.346g/mol
Monoisotopic Mass:
432.105g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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