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AG01EO50

307519-88-6 | NMDI14

AG01EO50

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CAS Number	307519-88-6
Catalog Number	AG01EO50(AGN-PC-3H4671)
Chemical Name	NMDI14
IUPAC Name	ethyl 2-[[2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
InChI	InChI=1S/C21H25N3O4S/c1-6-28-21(27)18-12(4)13(5)29-20(18)24-17(25)9-16-19(26)23-15-8-11(3)10(2)7-14(15)22-16/h7-8,16,22H,6,9H2,1-5H3,(H,23,26)(H,24,25)
InChI Key	QRLPSNLBUMVXBL-UHFFFAOYSA-N
MDL Number	MFCD02073967
Molecular Formula	C21H25N3O4S
Molecular Weight	415.5059
SMILES	C1(NC(CC2C(=O)NC3=C(N2)C=C(C)C(C)=C3)=O)SC(C)=C(C)C=1C(OCC)=O
Synonyms	NMDI14, 307519-88-6, ethyl 2-{[(6,7-dimethyl-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetyl]amino}-4,5-dimethylthiophene-3-carboxylate, ethyl 2-(2-(6,7-dimethyl-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamido)-4,5-dimethylthiophene-3-carboxylate, ethyl 2-[2-(6,7-dimethyl-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamido]-4,5-dimethylthiophene-3-carboxylate, AC1MEZFH, AC1Q33DH, Oprea1_592896, NMDI 14, MLS000551035, CHEMBL1585886, SCHEMBL17354707, HMS2497F23, BCP29221, STL020238, AKOS000569048, AKOS016318980, MCULE-1070390102, BAS 03571551, SMR000178054, ST070598, HY-111374, CS-0040188, AB00531182-03, SR-01000467349, SR-01000467349-1, F1065-0551, 2-[2-(6,7-Dimethyl-3-oxo-1,2,3,4-tetrahydro-quinoxalin-2-yl)-acetylamino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester, ethyl 2-[[2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate, ethyl 2-[2-(6,7-dimethyl-3-oxo(1,2,4-trihydroquinoxalin-2-yl))acetylamino]-4,5 -dimethylthiophene-3-carboxylate, C21H25N3O4S, ZINC00639809, CID2886617,

Complexity	645
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	415.157g/mol
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	415.508g/mol
Monoisotopic Mass	415.157g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	125A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	4

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CERTIFICATE OF ANALYSIS

Chemical Name:	Batch Number:
Chemical Structure:	CAS Registry No:
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Analysis Data:

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited