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858118-90-8 | Methanone, (2-fluorophenyl)[4-(3-thienyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-
CAS No: 858118-90-8 Catalog No: AG004OG1 MDL No:
Product Description
Catalog Number:
AG004OG1
Chemical Name:
Methanone, (2-fluorophenyl)[4-(3-thienyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-
CAS Number:
858118-90-8
Molecular Formula:
C18H11FN2OS
Molecular Weight:
322.3561
IUPAC Name:
(2-fluorophenyl)-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
InChI:
InChI=1S/C18H11FN2OS/c19-15-4-2-1-3-13(15)17(22)14-9-21-18-16(14)12(5-7-20-18)11-6-8-23-10-11/h1-10H,(H,20,21)
InChI Key:
XSFRKBCUYLZFMZ-UHFFFAOYSA-N
SMILES:
Fc1ccccc1C(=O)c1c[nH]c2c1c(ccn2)c1ccsc1
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.058g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
322.357g/mol
Monoisotopic Mass:
322.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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