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90074-55-8 | 2(1H)-Quinolinone, 4-[5-(butylthio)-1,3,4-oxadiazol-2-yl]-
CAS No: 90074-55-8 Catalog No: AG006K3B MDL No:
Product Description
Catalog Number:
AG006K3B
Chemical Name:
2(1H)-Quinolinone, 4-[5-(butylthio)-1,3,4-oxadiazol-2-yl]-
CAS Number:
90074-55-8
Molecular Formula:
C15H15N3O2S
Molecular Weight:
301.3635
IUPAC Name:
4-(5-butylsulfanyl-1,3,4-oxadiazol-2-yl)-1H-quinolin-2-one
InChI:
InChI=1S/C15H15N3O2S/c1-2-3-8-21-15-18-17-14(20-15)11-9-13(19)16-12-7-5-4-6-10(11)12/h4-7,9H,2-3,8H2,1H3,(H,16,19)
InChI Key:
MTLBRDPQHCXSAB-UHFFFAOYSA-N
SMILES:
CCCCSc1nnc(o1)c1cc(=O)[nH]c2c1cccc2
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.088g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.364g/mol
Monoisotopic Mass:
301.088g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
93.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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