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90074-51-4 | Quinoline, 2-methyl-4-[5-[(phenylmethyl)thio]-1,3,4-oxadiazol-2-yl]-
CAS No: 90074-51-4 Catalog No: AG00H8AO MDL No:
Product Description
Catalog Number:
AG00H8AO
Chemical Name:
Quinoline, 2-methyl-4-[5-[(phenylmethyl)thio]-1,3,4-oxadiazol-2-yl]-
CAS Number:
90074-51-4
Molecular Formula:
C19H15N3OS
Molecular Weight:
333.4069
IUPAC Name:
2-benzylsulfanyl-5-(2-methylquinolin-4-yl)-1,3,4-oxadiazole
InChI:
InChI=1S/C19H15N3OS/c1-13-11-16(15-9-5-6-10-17(15)20-13)18-21-22-19(23-18)24-12-14-7-3-2-4-8-14/h2-11H,12H2,1H3
InChI Key:
LSMPBNBVSZLSGZ-UHFFFAOYSA-N
SMILES:
Cc1nc2ccccc2c(c1)c1nnc(o1)SCc1ccccc1
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.094g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
333.409g/mol
Monoisotopic Mass:
333.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
77.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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