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1392424-79-1 | IMidodicarbonic acid, 2-(7-broMo-1H-iMidazo[4,5-c]pyridin-4-yl)-, 1,3-bis(1,1-diMethylethyl) ester
CAS No: 1392424-79-1 Catalog No: AG001AJS MDL No:MFCD28100847
Product Description
Catalog Number:
AG001AJS
Chemical Name:
IMidodicarbonic acid, 2-(7-broMo-1H-iMidazo[4,5-c]pyridin-4-yl)-, 1,3-bis(1,1-diMethylethyl) ester
CAS Number:
1392424-79-1
Molecular Formula:
C16H21BrN4O4
Molecular Weight:
413.2663
MDL Number:
MFCD28100847
IUPAC Name:
tert-butyl N-(7-bromo-3H-imidazo[4,5-c]pyridin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
InChI:
InChI=1S/C16H21BrN4O4/c1-15(2,3)24-13(22)21(14(23)25-16(4,5)6)12-11-10(19-8-20-11)9(17)7-18-12/h7-8H,1-6H3,(H,19,20)
InChI Key:
KZJAAIDRIDGXKO-UHFFFAOYSA-N
SMILES:
O=C(N(c1ncc(c2c1nc[nH]2)Br)C(=O)OC(C)(C)C)OC(C)(C)C
Properties
Complexity:
489
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
412.075g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
413.272g/mol
Monoisotopic Mass:
412.075g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
97.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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