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Home Sulfos 3-[2-(methylsulfanyl)ethyl]-7-(morpholine-4-sulfonyl)-1,2,3,4-tetrahydroquinoxalin-2-one

3-[2-(methylsulfanyl)ethyl]-7-(morpholine-4-sulfonyl)-1,2,3,4-tetrahydroquinoxalin-2-one

CAS No.:
1009669-79-7
Catalog Number:
AG019IJ4
Molecular Formula:
C15H21N3O4S2
Molecular Weight:
371.4749
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Product Description
Catalog Number:
AG019IJ4
Chemical Name:
3-[2-(methylsulfanyl)ethyl]-7-(morpholine-4-sulfonyl)-1,2,3,4-tetrahydroquinoxalin-2-one
CAS Number:
1009669-79-7
Molecular Formula:
C15H21N3O4S2
Molecular Weight:
371.4749
MDL Number:
MFCD04617226
IUPAC Name:
3-(2-methylsulfanylethyl)-7-morpholin-4-ylsulfonyl-3,4-dihydro-1H-quinoxalin-2-one
InChI:
InChI=1S/C15H21N3O4S2/c1-23-9-4-13-15(19)17-14-10-11(2-3-12(14)16-13)24(20,21)18-5-7-22-8-6-18/h2-3,10,13,16H,4-9H2,1H3,(H,17,19)
InChI Key:
VFHKSFCDPODZMG-UHFFFAOYSA-N
SMILES:
CSCCC1Nc2ccc(cc2NC1=O)S(=O)(=O)N1CCOCC1
Properties
Complexity:
545  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.097g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
371.47g/mol
Monoisotopic Mass:
371.097g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties