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606083-11-8

606083-11-8 | Morpholine, 4-[[4-[[4-(2-benzothiazolyl)-1-piperidinyl]sulfonyl]-2,5-diethoxyphenyl]sulfonyl]- (9CI)

CAS No: 606083-11-8 Catalog No: AG00F8OQ MDL No:

Product Description

Catalog Number:
AG00F8OQ
Chemical Name:
Morpholine, 4-[[4-[[4-(2-benzothiazolyl)-1-piperidinyl]sulfonyl]-2,5-diethoxyphenyl]sulfonyl]- (9CI)
CAS Number:
606083-11-8
IUPAC Name:
4-[4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonyl-2,5-diethoxyphenyl]sulfonylmorpholine
InChI:
InChI=1S/C26H33N3O7S3/c1-3-35-21-18-25(39(32,33)29-13-15-34-16-14-29)22(36-4-2)17-24(21)38(30,31)28-11-9-19(10-12-28)26-27-20-7-5-6-8-23(20)37-26/h5-8,17-19H,3-4,9-16H2,1-2H3
InChI Key:
SQAMIJZONVQKQO-UHFFFAOYSA-N

Properties

Complexity:
1000  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
595.148g/mol
Formal Charge:
0
Heavy Atom Count:
39  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
595.744g/mol
Monoisotopic Mass:
595.148g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
160A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

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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