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920505-91-5 | 2-Thiophenecarboxamide, 3-iodo-N-[2-(1-methyl-1H-indol-3-yl)ethyl]-
CAS No: 920505-91-5 Catalog No: AG00617P MDL No:
Product Description
Catalog Number:
AG00617P
Chemical Name:
2-Thiophenecarboxamide, 3-iodo-N-[2-(1-methyl-1H-indol-3-yl)ethyl]-
CAS Number:
920505-91-5
Molecular Formula:
C16H15IN2OS
Molecular Weight:
410.2726
IUPAC Name:
3-iodo-N-[2-(1-methylindol-3-yl)ethyl]thiophene-2-carboxamide
InChI:
InChI=1S/C16H15IN2OS/c1-19-10-11(12-4-2-3-5-14(12)19)6-8-18-16(20)15-13(17)7-9-21-15/h2-5,7,9-10H,6,8H2,1H3,(H,18,20)
InChI Key:
NQPWRZDLBZCNGG-UHFFFAOYSA-N
SMILES:
O=C(c1sccc1I)NCCc1cn(c2c1cccc2)C
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:
1
Isotope Atom Count:
0
Molecular Weight:
410.273g/mol
Monoisotopic Mass:
409.995g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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