200,000+ products from a single source!
sales@angenechem.com
119623-06-2 | Acetamide, N-[2-(5-bromo-1H-indol-3-yl)ethyl]-
CAS No: 119623-06-2 Catalog No: AG000PDO MDL No:
Product Description
Catalog Number:
AG000PDO
Chemical Name:
Acetamide, N-[2-(5-bromo-1H-indol-3-yl)ethyl]-
CAS Number:
119623-06-2
Molecular Formula:
C12H13BrN2O
Molecular Weight:
281.1484
IUPAC Name:
N-[2-(5-bromo-1H-indol-3-yl)ethyl]acetamide
InChI:
InChI=1S/C12H13BrN2O/c1-8(16)14-5-4-9-7-15-12-3-2-10(13)6-11(9)12/h2-3,6-7,15H,4-5H2,1H3,(H,14,16)
InChI Key:
GLPQMYRAWZFYFL-UHFFFAOYSA-N
SMILES:
CC(=O)NCCc1c[nH]c2c1cc(Br)cc2
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.021g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
281.153g/mol
Monoisotopic Mass:
280.021g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Three-dimensional quantitative structure-activity relationship studies on selected MT1 and MT2 melatonin receptor ligands: requirements for subtype selectivity and intrinsic activity modulation. | Journal of medicinal chemistry 20030410 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.