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Home > Fluorides > 827602-56-2
827602-56-2 | 1H-Imidazo[4,5-b]pyrazine, 1-[(4-fluorophenyl)methyl]-6-(2-thienyl)-
CAS No: 827602-56-2 Catalog No: AG00571R MDL No:
Product Description
Catalog Number:
AG00571R
Chemical Name:
1H-Imidazo[4,5-b]pyrazine, 1-[(4-fluorophenyl)methyl]-6-(2-thienyl)-
CAS Number:
827602-56-2
Molecular Formula:
C16H11FN4S
Molecular Weight:
310.3487
IUPAC Name:
3-[(4-fluorophenyl)methyl]-5-thiophen-2-ylimidazo[4,5-b]pyrazine
InChI:
InChI=1S/C16H11FN4S/c17-12-5-3-11(4-6-12)9-21-10-19-15-16(21)20-13(8-18-15)14-2-1-7-22-14/h1-8,10H,9H2
InChI Key:
KTNGGZUOYRVYGI-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)Cn1cnc2c1nc(cn2)c1cccs1
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.069g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.35g/mol
Monoisotopic Mass:
310.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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