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126632-02-8 | iodoazidopotentidine
CAS No: 126632-02-8 Catalog No: AG00AI8V MDL No:
Product Description
Catalog Number:
AG00AI8V
Chemical Name:
iodoazidopotentidine
CAS Number:
126632-02-8
IUPAC Name:
4-azido-N-[2-[[N-cyano-N'-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]carbamimidoyl]amino]ethyl]-3-iodobenzamide
InChI:
InChI=1S/C26H32IN9O2/c27-23-17-21(8-9-24(23)34-35-29)25(37)30-11-12-32-26(33-19-28)31-10-5-15-38-22-7-4-6-20(16-22)18-36-13-2-1-3-14-36/h4,6-9,16-17H,1-3,5,10-15,18H2,(H,30,37)(H2,31,32,33)
InChI Key:
ZDEJFUULRAFTAI-UHFFFAOYSA-N
Properties
Complexity:
851
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
629.172g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
629.507g/mol
Monoisotopic Mass:
629.172g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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