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90074-39-8 | Quinoline, 4-[5-(butylthio)-1,3,4-oxadiazol-2-yl]-2-phenyl-
CAS No: 90074-39-8 Catalog No: AG00H8AR MDL No:
Product Description
Catalog Number:
AG00H8AR
Chemical Name:
Quinoline, 4-[5-(butylthio)-1,3,4-oxadiazol-2-yl]-2-phenyl-
CAS Number:
90074-39-8
Molecular Formula:
C21H19N3OS
Molecular Weight:
361.4601
IUPAC Name:
2-butylsulfanyl-5-(2-phenylquinolin-4-yl)-1,3,4-oxadiazole
InChI:
InChI=1S/C21H19N3OS/c1-2-3-13-26-21-24-23-20(25-21)17-14-19(15-9-5-4-6-10-15)22-18-12-8-7-11-16(17)18/h4-12,14H,2-3,13H2,1H3
InChI Key:
ZQVPWNNCJJVLNH-UHFFFAOYSA-N
SMILES:
CCCCSc1nnc(o1)c1cc(nc2c1cccc2)c1ccccc1
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.125g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
361.463g/mol
Monoisotopic Mass:
361.125g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
77.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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