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828919-89-7 | [1,1'-Biphenyl]-4-carboxamide, N-[5-[(mercaptoacetyl)amino]pentyl]-
CAS No: 828919-89-7 Catalog No: AG004VVO MDL No:
Product Description
Catalog Number:
AG004VVO
Chemical Name:
[1,1'-Biphenyl]-4-carboxamide, N-[5-[(mercaptoacetyl)amino]pentyl]-
CAS Number:
828919-89-7
Molecular Formula:
C20H24N2O2S
Molecular Weight:
356.4818
IUPAC Name:
4-phenyl-N-[5-[(2-sulfanylacetyl)amino]pentyl]benzamide
InChI:
InChI=1S/C20H24N2O2S/c23-19(15-25)21-13-5-2-6-14-22-20(24)18-11-9-17(10-12-18)16-7-3-1-4-8-16/h1,3-4,7-12,25H,2,5-6,13-15H2,(H,21,23)(H,22,24)
InChI Key:
PLDBDKOMOBRBCJ-UHFFFAOYSA-N
SMILES:
SCC(=O)NCCCCCNC(=O)c1ccc(cc1)c1ccccc1
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.156g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
356.484g/mol
Monoisotopic Mass:
356.156g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
59.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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