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136669-49-3 | Acetamide, 2-bromo-N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]-
CAS No: 136669-49-3 Catalog No: AG001276 MDL No:
Product Description
Catalog Number:
AG001276
Chemical Name:
Acetamide, 2-bromo-N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]-
CAS Number:
136669-49-3
Molecular Formula:
C13H14BrIN2O2
Molecular Weight:
437.0709
IUPAC Name:
2-bromo-N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide
InChI:
InChI=1S/C13H14BrIN2O2/c1-19-8-2-3-11-10(6-8)9(13(15)17-11)4-5-16-12(18)7-14/h2-3,6,17H,4-5,7H2,1H3,(H,16,18)
InChI Key:
VFEQIOCRTCGDMH-UHFFFAOYSA-N
SMILES:
COc1cc2c(CCNC(=O)CBr)c([nH]c2cc1)I
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
435.928g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
437.075g/mol
Monoisotopic Mass:
435.928g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| The actions of a charged melatonin receptor ligand, TMEPI, and an irreversible MT2 receptor agonist, BMNEP, on mouse hippocampal evoked potentials in vitro. | Life sciences 20041112 |
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