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Home > Imidazoles > 827602-48-2
827602-48-2 | Phenol, 4-[[6-(2-thienyl)-1H-imidazo[4,5-b]pyrazin-1-yl]methyl]-
CAS No: 827602-48-2 Catalog No: AG008IRF MDL No:
Product Description
Catalog Number:
AG008IRF
Chemical Name:
Phenol, 4-[[6-(2-thienyl)-1H-imidazo[4,5-b]pyrazin-1-yl]methyl]-
CAS Number:
827602-48-2
Molecular Formula:
C16H12N4OS
Molecular Weight:
308.3577
IUPAC Name:
4-[(5-thiophen-2-ylimidazo[4,5-b]pyrazin-3-yl)methyl]phenol
InChI:
InChI=1S/C16H12N4OS/c21-12-5-3-11(4-6-12)9-20-10-18-15-16(20)19-13(8-17-15)14-2-1-7-22-14/h1-8,10,21H,9H2
InChI Key:
BZKMVPNSSFDJPN-UHFFFAOYSA-N
SMILES:
Oc1ccc(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:
308.073g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
308.359g/mol
Monoisotopic Mass:
308.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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