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302965-25-9 | 1,1,2-Ethenetricarbonitrile, 2-[5-[2-[4-(dibutylamino)phenyl]ethenyl]-2-thienyl]-
CAS No: 302965-25-9 Catalog No: AG002ZJF MDL No:
Product Description
Catalog Number:
AG002ZJF
Chemical Name:
1,1,2-Ethenetricarbonitrile, 2-[5-[2-[4-(dibutylamino)phenyl]ethenyl]-2-thienyl]-
CAS Number:
302965-25-9
Molecular Formula:
C25H26N4S
Molecular Weight:
414.5657
IUPAC Name:
2-[5-[2-[4-(dibutylamino)phenyl]ethenyl]thiophen-2-yl]ethene-1,1,2-tricarbonitrile
InChI:
InChI=1S/C25H26N4S/c1-3-5-15-29(16-6-4-2)22-10-7-20(8-11-22)9-12-23-13-14-25(30-23)24(19-28)21(17-26)18-27/h7-14H,3-6,15-16H2,1-2H3
InChI Key:
FIVPFBVYRCQQAP-UHFFFAOYSA-N
SMILES:
CCCCN(c1ccc(cc1)C=Cc1ccc(s1)C(=C(C#N)C#N)C#N)CCCC
Properties
Complexity:
722
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.188g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
414.571g/mol
Monoisotopic Mass:
414.188g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6.2
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