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415701-38-1

415701-38-1 | 3-(6,7-DIMETHOXY-3,4-DIHYDRO-1H-ISOQUINOLIN-2-YL)-PROPIONIC ACID

CAS No: 415701-38-1 Catalog No: AG01ATB8 MDL No:MFCD00431211

Product Description

Catalog Number:
AG01ATB8
Chemical Name:
3-(6,7-DIMETHOXY-3,4-DIHYDRO-1H-ISOQUINOLIN-2-YL)-PROPIONIC ACID
CAS Number:
415701-38-1
MDL Number:
MFCD00431211
IUPAC Name:
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanoic acid
InChI:
InChI=1S/C14H19NO4/c1-18-12-7-10-3-5-15(6-4-14(16)17)9-11(10)8-13(12)19-2/h7-8H,3-6,9H2,1-2H3,(H,16,17)
InChI Key:
WBSFXIIDLAELJP-UHFFFAOYSA-N

Properties

Complexity:
310  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.131g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
265.309g/mol
Monoisotopic Mass:
265.131g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1  

Literature

Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101

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