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28462-87-5

28462-87-5 | Acetamide, N-[2-(5-methoxybenzo[b]thien-3-yl)ethyl]-

CAS No: 28462-87-5 Catalog No: AG002VDI MDL No:

Product Description

Catalog Number:
AG002VDI
Chemical Name:
Acetamide, N-[2-(5-methoxybenzo[b]thien-3-yl)ethyl]-
CAS Number:
28462-87-5
Molecular Formula:
C13H15NO2S
Molecular Weight:
249.3287
IUPAC Name:
N-[2-(5-methoxy-1-benzothiophen-3-yl)ethyl]acetamide
InChI:
InChI=1S/C13H15NO2S/c1-9(15)14-6-5-10-8-17-13-4-3-11(16-2)7-12(10)13/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)
InChI Key:
AXMIJKLYRBIWJK-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(CCNC(=O)C)cs2

Properties

Complexity:
272  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.082g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
249.328g/mol
Monoisotopic Mass:
249.082g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

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