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109273-51-0 | Acetamide, N-[1-[[4-[[(aminoiminomethyl)amino]methyl]phenyl]methyl]-2-oxo-2-(1-piperidinyl)ethyl]-2-[(2-naphthalenylsulfonyl)amino]-
CAS No: 109273-51-0 Catalog No: AG000PMQ MDL No:
Product Description
Catalog Number:
AG000PMQ
Chemical Name:
Acetamide, N-[1-[[4-[[(aminoiminomethyl)amino]methyl]phenyl]methyl]-2-oxo-2-(1-piperidinyl)ethyl]-2-[(2-naphthalenylsulfonyl)amino]-
CAS Number:
109273-51-0
Molecular Formula:
C28H34N6O4S
Molecular Weight:
550.6724
IUPAC Name:
N-[3-[4-[(diaminomethylideneamino)methyl]phenyl]-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-(naphthalen-2-ylsulfonylamino)acetamide
InChI:
InChI=1S/C28H34N6O4S/c29-28(30)31-18-21-10-8-20(9-11-21)16-25(27(36)34-14-4-1-5-15-34)33-26(35)19-32-39(37,38)24-13-12-22-6-2-3-7-23(22)17-24/h2-3,6-13,17,25,32H,1,4-5,14-16,18-19H2,(H,33,35)(H4,29,30,31)
InChI Key:
WMTPJYLLGLWCDT-UHFFFAOYSA-N
SMILES:
NN=CNCc1ccc(cc1)CC(C(=O)N1CCCCC1)NC(=O)CNS(=O)(=O)c1ccc2c(c1)cccc2
Properties
Complexity:
950
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
550.236g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
550.678g/mol
Monoisotopic Mass:
550.236g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
168A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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