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88137-98-8 | Acetamide, N-[4-[[5-(1H-imidazol-1-yl)pentyl]thio]phenyl]-
CAS No: 88137-98-8 Catalog No: AG008C66 MDL No:
Product Description
Catalog Number:
AG008C66
Chemical Name:
Acetamide, N-[4-[[5-(1H-imidazol-1-yl)pentyl]thio]phenyl]-
CAS Number:
88137-98-8
Molecular Formula:
C16H21N3OS
Molecular Weight:
303.4224
IUPAC Name:
N-[4-(5-imidazol-1-ylpentylsulfanyl)phenyl]acetamide
InChI:
InChI=1S/C16H21N3OS/c1-14(20)18-15-5-7-16(8-6-15)21-12-4-2-3-10-19-11-9-17-13-19/h5-9,11,13H,2-4,10,12H2,1H3,(H,18,20)
InChI Key:
QXHKUZLRUXAYTM-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc(cc1)SCCCCCn1cncc1
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.141g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.424g/mol
Monoisotopic Mass:
303.141g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
72.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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