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87618-27-7 | Acetamide, N,N'-[methylenebis[5-(diethylamino)-2,1-phenylene]]bis-
CAS No: 87618-27-7 Catalog No: AG004P5D MDL No:
Product Description
Catalog Number:
AG004P5D
Chemical Name:
Acetamide, N,N'-[methylenebis[5-(diethylamino)-2,1-phenylene]]bis-
CAS Number:
87618-27-7
Molecular Formula:
C25H36N4O2
Molecular Weight:
424.5789
IUPAC Name:
N-[2-[[2-acetamido-4-(diethylamino)phenyl]methyl]-5-(diethylamino)phenyl]acetamide
InChI:
InChI=1S/C25H36N4O2/c1-7-28(8-2)22-13-11-20(24(16-22)26-18(5)30)15-21-12-14-23(29(9-3)10-4)17-25(21)27-19(6)31/h11-14,16-17H,7-10,15H2,1-6H3,(H,26,30)(H,27,31)
InChI Key:
VMFQIWXNZKIQRL-UHFFFAOYSA-N
SMILES:
CCN(c1ccc(c(c1)NC(=O)C)Cc1ccc(cc1NC(=O)C)N(CC)CC)CC
Properties
Complexity:
514
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
424.284g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
424.589g/mol
Monoisotopic Mass:
424.284g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
64.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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