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1820703-53-4 | 1-(3-Benzyl-1,2,4-oxadiazol-5-yl)-3-(methylthio)propan-1-amine oxalate
CAS No: 1820703-53-4 Catalog No: AG01FLSP MDL No:MFCD28370009
Product Description
Catalog Number:
AG01FLSP
Chemical Name:
1-(3-Benzyl-1,2,4-oxadiazol-5-yl)-3-(methylthio)propan-1-amine oxalate
CAS Number:
1820703-53-4
Molecular Formula:
C15H19N3O5S
Molecular Weight:
353.3935
MDL Number:
MFCD28370009
IUPAC Name:
1-(3-benzyl-1,2,4-oxadiazol-5-yl)-3-methylsulfanylpropan-1-amine;oxalic acid
InChI:
InChI=1S/C13H17N3OS.C2H2O4/c1-18-8-7-11(14)13-15-12(16-17-13)9-10-5-3-2-4-6-10;3-1(4)2(5)6/h2-6,11H,7-9,14H2,1H3;(H,3,4)(H,5,6)
InChI Key:
WSOHPIUFZVBBTD-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.CSCCC(c1onc(n1)Cc1ccccc1)N
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.105g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
353.393g/mol
Monoisotopic Mass:
353.105g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
165A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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