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Home > Pyridines > 858117-95-0
858117-95-0 | Methanone, (2-methylphenyl)[5-(3-thienyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-
CAS No: 858117-95-0 Catalog No: AG004OGB MDL No:
Product Description
Catalog Number:
AG004OGB
Chemical Name:
Methanone, (2-methylphenyl)[5-(3-thienyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-
CAS Number:
858117-95-0
Molecular Formula:
C19H14N2OS
Molecular Weight:
318.3923
IUPAC Name:
(2-methylphenyl)-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
InChI:
InChI=1S/C19H14N2OS/c1-12-4-2-3-5-15(12)18(22)17-10-21-19-16(17)8-14(9-20-19)13-6-7-23-11-13/h2-11H,1H3,(H,20,21)
InChI Key:
GDHHNMANHBCGQU-UHFFFAOYSA-N
SMILES:
Cc1ccccc1C(=O)c1c[nH]c2c1cc(cn2)c1ccsc1
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.083g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.394g/mol
Monoisotopic Mass:
318.083g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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