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100592-84-5 | Methanone, [2-(methylthio)pyrazolo[1,5-a]pyridin-3-yl]phenyl-
CAS No: 100592-84-5 Catalog No: AG0002FF MDL No:
Product Description
Catalog Number:
AG0002FF
Chemical Name:
Methanone, [2-(methylthio)pyrazolo[1,5-a]pyridin-3-yl]phenyl-
CAS Number:
100592-84-5
Molecular Formula:
C15H12N2OS
Molecular Weight:
268.3336
IUPAC Name:
(2-methylsulfanylpyrazolo[1,5-a]pyridin-3-yl)-phenylmethanone
InChI:
InChI=1S/C15H12N2OS/c1-19-15-13(12-9-5-6-10-17(12)16-15)14(18)11-7-3-2-4-8-11/h2-10H,1H3
InChI Key:
MSMZGCPMUPDUSJ-UHFFFAOYSA-N
SMILES:
CSc1nn2c(c1C(=O)c1ccccc1)cccc2
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.067g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.334g/mol
Monoisotopic Mass:
268.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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