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920506-28-1 | 3-Thiophenecarboxamide, 2-iodo-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-
CAS No: 920506-28-1 Catalog No: AG00617N MDL No:
Product Description
Catalog Number:
AG00617N
Chemical Name:
3-Thiophenecarboxamide, 2-iodo-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-
CAS Number:
920506-28-1
Molecular Formula:
C16H15IN2OS
Molecular Weight:
410.2726
IUPAC Name:
2-iodo-N-[2-(2-methyl-1H-indol-3-yl)ethyl]thiophene-3-carboxamide
InChI:
InChI=1S/C16H15IN2OS/c1-10-11(12-4-2-3-5-14(12)19-10)6-8-18-16(20)13-7-9-21-15(13)17/h2-5,7,9,19H,6,8H2,1H3,(H,18,20)
InChI Key:
CJOHXBXTMKJUET-UHFFFAOYSA-N
SMILES:
O=C(c1ccsc1I)NCCc1c(C)[nH]c2c1cccc2
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
409.995g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
410.273g/mol
Monoisotopic Mass:
409.995g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
73.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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