AG01EOJ8

Name: TTA-Q6
Brand: Angene Chemical
SKU: AG01EOJ8

910484-28-5 | TTA-Q6

AG01EOJ8

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CAS Number	910484-28-5
Catalog Number	AG01EOJ8(AGN-PC-0VRKVW)
Chemical Name	TTA-Q6
IUPAC Name	4-[(4S)-6-chloro-4-cyclopropyl-2-oxo-3-(2,2,2-trifluoroethyl)-1H-quinazolin-4-yl]benzonitrile
InChI	InChI=1S/C20H15ClF3N3O/c21-15-7-8-17-16(9-15)20(14-5-6-14,13-3-1-12(10-25)2-4-13)27(18(28)26-17)11-19(22,23)24/h1-4,7-9,14H,5-6,11H2,(H,26,28)/t20-/m1/s1
InChI Key	OVRNWJYZCIAMGV-HXUWFJFHSA-N
MDL Number	MFCD15528951
Molecular Formula	C20H15ClF3N3O
Molecular Weight	405.8008
SMILES	C(#N)C1=CC=C([C@@]2(C3CC3)C3=C(NC(=O)N2CC(F)(F)F)C=CC(Cl)=C3)C=C1
Synonyms	TTA-Q6, 910484-28-5, (S)-4-(6-chloro-4-cyclopropyl-2-oxo-3-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroquinazolin-4-yl)benzonitrile, CHEMBL1222523, ZINC36479416, HY-10388, CS-0002589,

Complexity	665
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	405.086g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	405.805g/mol
Monoisotopic Mass	405.086g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	56.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.4

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