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90074-52-5 | Quinoline, 4-[5-(butylthio)-1,3,4-oxadiazol-2-yl]-2-methyl-
CAS No: 90074-52-5 Catalog No: AG00H8AN MDL No:
Product Description
Catalog Number:
AG00H8AN
Chemical Name:
Quinoline, 4-[5-(butylthio)-1,3,4-oxadiazol-2-yl]-2-methyl-
CAS Number:
90074-52-5
Molecular Formula:
C16H17N3OS
Molecular Weight:
299.3907
IUPAC Name:
2-butylsulfanyl-5-(2-methylquinolin-4-yl)-1,3,4-oxadiazole
InChI:
InChI=1S/C16H17N3OS/c1-3-4-9-21-16-19-18-15(20-16)13-10-11(2)17-14-8-6-5-7-12(13)14/h5-8,10H,3-4,9H2,1-2H3
InChI Key:
LKTLHTNLZLEUKR-UHFFFAOYSA-N
SMILES:
CCCCSc1nnc(o1)c1cc(C)nc2c1cccc2
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.109g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.392g/mol
Monoisotopic Mass:
299.109g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
77.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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