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7151-43-1 | 1,4-bis(phenylsulfonyl)-1,2,3,4-tetrahydroquinoxaline
CAS No: 7151-43-1 Catalog No: AG0066JH MDL No:
Product Description
Catalog Number:
AG0066JH
Chemical Name:
1,4-bis(phenylsulfonyl)-1,2,3,4-tetrahydroquinoxaline
CAS Number:
7151-43-1
Molecular Formula:
C20H18N2O4S2
Molecular Weight:
414.4979
IUPAC Name:
1,4-bis(benzenesulfonyl)-2,3-dihydroquinoxaline
InChI:
InChI=1S/C20H18N2O4S2/c23-27(24,17-9-3-1-4-10-17)21-15-16-22(20-14-8-7-13-19(20)21)28(25,26)18-11-5-2-6-12-18/h1-14H,15-16H2
InChI Key:
GWRPVMKQEIVDKV-UHFFFAOYSA-N
SMILES:
O=S(=O)(N1CCN(c2c1cccc2)S(=O)(=O)c1ccccc1)c1ccccc1
NSC Number:
70127
Properties
Complexity:
665
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.071g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
414.494g/mol
Monoisotopic Mass:
414.071g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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 |
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