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920537-59-3 | Benzamide, 2-iodo-N-[2-(3-methylbenzo[b]thien-2-yl)ethyl]-
CAS No: 920537-59-3 Catalog No: AG0060I6 MDL No:
Product Description
Catalog Number:
AG0060I6
Chemical Name:
Benzamide, 2-iodo-N-[2-(3-methylbenzo[b]thien-2-yl)ethyl]-
CAS Number:
920537-59-3
Molecular Formula:
C18H16INOS
Molecular Weight:
421.2952
IUPAC Name:
2-iodo-N-[2-(3-methyl-1-benzothiophen-2-yl)ethyl]benzamide
InChI:
InChI=1S/C18H16INOS/c1-12-13-6-3-5-9-17(13)22-16(12)10-11-20-18(21)14-7-2-4-8-15(14)19/h2-9H,10-11H2,1H3,(H,20,21)
InChI Key:
WHZBOVFRGROHDN-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1I)NCCc1sc2c(c1C)cccc2
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
421.296g/mol
Monoisotopic Mass:
421g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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