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920537-52-6 | Benzamide, N-(2-benzo[b]thien-3-ylethyl)-2-iodo-
CAS No: 920537-52-6 Catalog No: AG006DHR MDL No:
Product Description
Catalog Number:
AG006DHR
Chemical Name:
Benzamide, N-(2-benzo[b]thien-3-ylethyl)-2-iodo-
CAS Number:
920537-52-6
Molecular Formula:
C17H14INOS
Molecular Weight:
407.2686
IUPAC Name:
N-[2-(1-benzothiophen-3-yl)ethyl]-2-iodobenzamide
InChI:
InChI=1S/C17H14INOS/c18-15-7-3-1-6-14(15)17(20)19-10-9-12-11-21-16-8-4-2-5-13(12)16/h1-8,11H,9-10H2,(H,19,20)
InChI Key:
AUUCTQNYQFBFDQ-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1I)NCCc1csc2c1cccc2
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.984g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
407.269g/mol
Monoisotopic Mass:
406.984g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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