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Home > Imidazoles > 934816-44-1
934816-44-1 | IMidodicarbonic acid, 2-(3H-iMidazo[4,5-c]pyridin-4-yl)-, 1,3-bis(1,1-diMethylethyl) ester
CAS No: 934816-44-1 Catalog No: AG00GU3N MDL No:
Product Description
Catalog Number:
AG00GU3N
Chemical Name:
IMidodicarbonic acid, 2-(3H-iMidazo[4,5-c]pyridin-4-yl)-, 1,3-bis(1,1-diMethylethyl) ester
CAS Number:
934816-44-1
Molecular Formula:
C16H22N4O4
Molecular Weight:
334.3703
IUPAC Name:
tert-butyl N-(1H-imidazo[4,5-c]pyridin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
InChI:
InChI=1S/C16H22N4O4/c1-15(2,3)23-13(21)20(14(22)24-16(4,5)6)12-11-10(7-8-17-12)18-9-19-11/h7-9H,1-6H3,(H,18,19)
InChI Key:
AWVYKMMHNCVOHU-UHFFFAOYSA-N
SMILES:
O=C(N(c1nccc2c1nc[nH]2)C(=O)OC(C)(C)C)OC(C)(C)C
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.164g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
334.376g/mol
Monoisotopic Mass:
334.164g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
97.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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