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1008661-30-0 | N-methoxy-N-methyl-4-oxo-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxaline-7-sulfonamide
CAS No: 1008661-30-0 Catalog No: AG00IP6P MDL No:MFCD04124202
Product Description
Catalog Number:
AG00IP6P
Chemical Name:
N-methoxy-N-methyl-4-oxo-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxaline-7-sulfonamide
CAS Number:
1008661-30-0
Molecular Formula:
C13H17N3O4S
Molecular Weight:
311.3568
MDL Number:
MFCD04124202
IUPAC Name:
N-methoxy-N-methyl-4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-sulfonamide
InChI:
InChI=1S/C13H17N3O4S/c1-15(20-2)21(18,19)9-5-6-11-10(8-9)14-13(17)12-4-3-7-16(11)12/h5-6,8,12H,3-4,7H2,1-2H3,(H,14,17)
InChI Key:
DYKMQEJMHDKNTR-UHFFFAOYSA-N
SMILES:
CON(S(=O)(=O)c1ccc2c(c1)NC(=O)C1N2CCC1)C
Properties
Complexity:
518
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.094g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.356g/mol
Monoisotopic Mass:
311.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.3A^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 |
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