AG009CJK

Name: PF-4989216
Brand: Angene Chemical
SKU: AG009CJK

1276553-09-3 | PF-4989216

AG009CJK

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CAS Number	1276553-09-3
Catalog Number	AG009CJK
Chemical Name	PF-4989216
IUPAC Name	4-(4-cyano-2-fluorophenyl)-2-morpholin-4-yl-5-(1H-1,2,4-triazol-5-yl)thiophene-3-carbonitrile
InChI	InChI=1S/C18H13FN6OS/c19-14-7-11(8-20)1-2-12(14)15-13(9-21)18(25-3-5-26-6-4-25)27-16(15)17-22-10-23-24-17/h1-2,7,10H,3-6H2,(H,22,23,24)
InChI Key	MUENOTXSRZEFJV-UHFFFAOYSA-N
MDL Number	MFCD28386245
Molecular Formula	C18H13FN6OS
Molecular Weight	380.3988
SMILES	N#CC=1C=CC(=C(F)C1)C=2C(C#N)=C(SC2C3=NN=CN3)N4CCOCC4
Synonyms	PF-4989216, PF-4989216, 1276553-09-3, 4-(4-cyano-2-fluorophenyl)-2-morpholino-5-(1H-1,2,4-triazol-5-yl)thiophene-3-carbonitrile, CHEMBL2017654, SCHEMBL20768081, BCP15976, EX-A2310, BDBM50380321, s7675, ZINC84619044, AKOS030526379, CS-5205, HY-13864, PF4989216, B5948, A12889,

Complexity	628
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	380.086g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	380.401g/mol
Monoisotopic Mass	380.086g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	130A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited