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828920-11-2 | 8-Quinolinecarboxamide, N-[5-[(mercaptoacetyl)amino]pentyl]-
CAS No: 828920-11-2 Catalog No: AG004VVM MDL No:
Product Description
Catalog Number:
AG004VVM
Chemical Name:
8-Quinolinecarboxamide, N-[5-[(mercaptoacetyl)amino]pentyl]-
CAS Number:
828920-11-2
Molecular Formula:
C17H21N3O2S
Molecular Weight:
331.4325
IUPAC Name:
N-[5-[(2-sulfanylacetyl)amino]pentyl]quinoline-8-carboxamide
InChI:
InChI=1S/C17H21N3O2S/c21-15(12-23)18-9-2-1-3-10-20-17(22)14-8-4-6-13-7-5-11-19-16(13)14/h4-8,11,23H,1-3,9-10,12H2,(H,18,21)(H,20,22)
InChI Key:
MCZTZVMBLBXXFB-UHFFFAOYSA-N
SMILES:
SCC(=O)NCCCCCNC(=O)c1cccc2c1nccc2
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.135g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
331.434g/mol
Monoisotopic Mass:
331.135g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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