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90074-46-7 | 2(1H)-Quinolinone, 4-[5-[(phenylmethyl)thio]-1,3,4-oxadiazol-2-yl]-
CAS No: 90074-46-7 Catalog No: AG006K3C MDL No:
Product Description
Catalog Number:
AG006K3C
Chemical Name:
2(1H)-Quinolinone, 4-[5-[(phenylmethyl)thio]-1,3,4-oxadiazol-2-yl]-
CAS Number:
90074-46-7
Molecular Formula:
C18H13N3O2S
Molecular Weight:
335.3797
IUPAC Name:
4-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-1H-quinolin-2-one
InChI:
InChI=1S/C18H13N3O2S/c22-16-10-14(13-8-4-5-9-15(13)19-16)17-20-21-18(23-17)24-11-12-6-2-1-3-7-12/h1-10H,11H2,(H,19,22)
InChI Key:
VGIQQJIIFMHECB-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2ccccc2c(c1)c1nnc(o1)SCc1ccccc1
Properties
Complexity:
493
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.073g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
335.381g/mol
Monoisotopic Mass:
335.073g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
93.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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