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64048-12-0 | 2,3,4,5-TETRA-(4-PYRIDYL) THIOPHENE
CAS No: 64048-12-0 Catalog No: AG00E8Z3 MDL No:MFCD01103196
Product Description
Catalog Number:
AG00E8Z3
Chemical Name:
2,3,4,5-TETRA-(4-PYRIDYL) THIOPHENE
CAS Number:
64048-12-0
Molecular Formula:
C24H16N4S
Molecular Weight:
392.4756
MDL Number:
MFCD01103196
IUPAC Name:
4-(2,4,5-tripyridin-4-ylthiophen-3-yl)pyridine
InChI:
InChI=1S/C24H16N4S/c1-9-25-10-2-17(1)21-22(18-3-11-26-12-4-18)24(20-7-15-28-16-8-20)29-23(21)19-5-13-27-14-6-19/h1-16H
InChI Key:
USWLOKMMUTWFMD-UHFFFAOYSA-N
SMILES:
n1ccc(cc1)c1sc(c(c1c1ccncc1)c1ccncc1)c1ccncc1
NSC Number:
75503
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.11g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
392.48g/mol
Monoisotopic Mass:
392.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Literature
| Title | Journal |
|---|---|
| Modulators of the hedgehog signaling pathway. | Bioorganic & medicinal chemistry 20100915 |
| Small-molecule modulators of the Sonic Hedgehog signaling pathway. | Molecular bioSystems 20100101 |
| A design strategy for four-connected coordination frameworks. | Chemical communications (Cambridge, England) 20040321 |
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