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828920-07-6 | [1,1'-Biphenyl]-4-carboxamide, N-[4-[(mercaptoacetyl)amino]butyl]-
CAS No: 828920-07-6 Catalog No: AG004S8J MDL No:
Product Description
Catalog Number:
AG004S8J
Chemical Name:
[1,1'-Biphenyl]-4-carboxamide, N-[4-[(mercaptoacetyl)amino]butyl]-
CAS Number:
828920-07-6
Molecular Formula:
C19H22N2O2S
Molecular Weight:
342.4552
IUPAC Name:
4-phenyl-N-[4-[(2-sulfanylacetyl)amino]butyl]benzamide
InChI:
InChI=1S/C19H22N2O2S/c22-18(14-24)20-12-4-5-13-21-19(23)17-10-8-16(9-11-17)15-6-2-1-3-7-15/h1-3,6-11,24H,4-5,12-14H2,(H,20,22)(H,21,23)
InChI Key:
SJUAWMFEQFQWQA-UHFFFAOYSA-N
SMILES:
SCC(=O)NCCCCNC(=O)c1ccc(cc1)c1ccccc1
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.14g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
342.457g/mol
Monoisotopic Mass:
342.14g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
59.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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