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Home > Pyridines > 479423-34-2
479423-34-2 | 1-[1,2,3,4]tetraazolo[1,5-a]pyridin-6-yl-1-ethanone
CAS No: 479423-34-2 Catalog No: AG00DIYM MDL No:MFCD09817433
Product Description
Catalog Number:
AG00DIYM
Chemical Name:
1-[1,2,3,4]tetraazolo[1,5-a]pyridin-6-yl-1-ethanone
CAS Number:
479423-34-2
Molecular Formula:
C16H19NO4S2
Molecular Weight:
353.4564
MDL Number:
MFCD09817433
IUPAC Name:
tert-butyl N-[benzenesulfonyl(thiophen-2-yl)methyl]carbamate
InChI:
InChI=1S/C16H19NO4S2/c1-16(2,3)21-15(18)17-14(13-10-7-11-22-13)23(19,20)12-8-5-4-6-9-12/h4-11,14H,1-3H3,(H,17,18)
InChI Key:
DEFHMKWGLKDPMI-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC(S(=O)(=O)c1ccccc1)c1cccs1
Properties
Complexity:
501
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.076g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
353.451g/mol
Monoisotopic Mass:
353.076g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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