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827036-73-7 | Benzamide, N-[6-[(mercaptoacetyl)amino]hexyl]-
CAS No: 827036-73-7 Catalog No: AG0050VA MDL No:
Product Description
Catalog Number:
AG0050VA
Chemical Name:
Benzamide, N-[6-[(mercaptoacetyl)amino]hexyl]-
CAS Number:
827036-73-7
Molecular Formula:
C15H22N2O2S
Molecular Weight:
294.4124
IUPAC Name:
N-[6-[(2-sulfanylacetyl)amino]hexyl]benzamide
InChI:
InChI=1S/C15H22N2O2S/c18-14(12-20)16-10-6-1-2-7-11-17-15(19)13-8-4-3-5-9-13/h3-5,8-9,20H,1-2,6-7,10-12H2,(H,16,18)(H,17,19)
InChI Key:
ZCUKMPUQHVGDFJ-UHFFFAOYSA-N
SMILES:
SCC(=O)NCCCCCCNC(=O)c1ccccc1
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.14g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
294.413g/mol
Monoisotopic Mass:
294.14g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
59.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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