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1146080-64-9 | {1-[1-(5-Nitro-pyridin-2-yl)-1H-benzoiMidazol-2-yl]-piperidin-4-yl}-carbaMic acid tert-butyl ester, 98+% C22H26N6O4, MW
CAS No: 1146080-64-9 Catalog No: AG008ZRT MDL No:
Product Description
Catalog Number:
AG008ZRT
Chemical Name:
{1-[1-(5-Nitro-pyridin-2-yl)-1H-benzoiMidazol-2-yl]-piperidin-4-yl}-carbaMic acid tert-butyl ester, 98+% C22H26N6O4, MW
CAS Number:
1146080-64-9
IUPAC Name:
tert-butyl N-[1-[1-(5-nitropyridin-2-yl)benzimidazol-2-yl]piperidin-4-yl]carbamate
InChI:
InChI=1S/C22H26N6O4/c1-22(2,3)32-21(29)24-15-10-12-26(13-11-15)20-25-17-6-4-5-7-18(17)27(20)19-9-8-16(14-23-19)28(30)31/h4-9,14-15H,10-13H2,1-3H3,(H,24,29)
InChI Key:
XOPGYUSBIQKOTM-UHFFFAOYSA-N
Properties
Complexity:
672
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
438.202g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
438.488g/mol
Monoisotopic Mass:
438.202g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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