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90074-38-7 | Quinoline, 2-phenyl-4-[5-[(phenylmethyl)thio]-1,3,4-oxadiazol-2-yl]-
CAS No: 90074-38-7 Catalog No: AG006K3E MDL No:
Product Description
Catalog Number:
AG006K3E
Chemical Name:
Quinoline, 2-phenyl-4-[5-[(phenylmethyl)thio]-1,3,4-oxadiazol-2-yl]-
CAS Number:
90074-38-7
Molecular Formula:
C24H17N3OS
Molecular Weight:
395.4763
IUPAC Name:
2-benzylsulfanyl-5-(2-phenylquinolin-4-yl)-1,3,4-oxadiazole
InChI:
InChI=1S/C24H17N3OS/c1-3-9-17(10-4-1)16-29-24-27-26-23(28-24)20-15-22(18-11-5-2-6-12-18)25-21-14-8-7-13-19(20)21/h1-15H,16H2
InChI Key:
PDDNAAPCOBRQSF-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CSc1nnc(o1)c1cc(nc2c1cccc2)c1ccccc1
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
395.109g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
395.48g/mol
Monoisotopic Mass:
395.109g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
77.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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