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110718-58-6 | 1,3,4-Thiadiazole,2-[1,1'-biphenyl]-2-yl-5-(4,5-dihydro-1H-imidazol-2-yl)-
CAS No: 110718-58-6 Catalog No: AG007C81 MDL No:
Product Description
Catalog Number:
AG007C81
Chemical Name:
1,3,4-Thiadiazole,2-[1,1'-biphenyl]-2-yl-5-(4,5-dihydro-1H-imidazol-2-yl)-
CAS Number:
110718-58-6
Molecular Formula:
C17H14N4S
Molecular Weight:
306.3849
IUPAC Name:
2-(4,5-dihydro-1H-imidazol-2-yl)-5-(2-phenylphenyl)-1,3,4-thiadiazole
InChI:
InChI=1S/C17H14N4S/c1-2-6-12(7-3-1)13-8-4-5-9-14(13)16-20-21-17(22-16)15-18-10-11-19-15/h1-9H,10-11H2,(H,18,19)
InChI Key:
LXNZPOAVZPZLQB-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1ccccc1c1nnc(s1)C1=NCCN1
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.094g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.387g/mol
Monoisotopic Mass:
306.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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