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828920-12-3 | Hexanamide, N-[4-(dimethylamino)phenyl]-6-[(mercaptoacetyl)amino]-
CAS No: 828920-12-3 Catalog No: AG004S8I MDL No:
Product Description
Catalog Number:
AG004S8I
Chemical Name:
Hexanamide, N-[4-(dimethylamino)phenyl]-6-[(mercaptoacetyl)amino]-
CAS Number:
828920-12-3
Molecular Formula:
C16H25N3O2S
Molecular Weight:
323.4536
IUPAC Name:
N-[4-(dimethylamino)phenyl]-6-[(2-sulfanylacetyl)amino]hexanamide
InChI:
InChI=1S/C16H25N3O2S/c1-19(2)14-9-7-13(8-10-14)18-15(20)6-4-3-5-11-17-16(21)12-22/h7-10,22H,3-6,11-12H2,1-2H3,(H,17,21)(H,18,20)
InChI Key:
MNRBYJDJXYLKAZ-UHFFFAOYSA-N
SMILES:
SCC(=O)NCCCCCC(=O)Nc1ccc(cc1)N(C)C
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.167g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
323.455g/mol
Monoisotopic Mass:
323.167g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
62.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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