AG00H1CT

Name: 4-[7-[4-Cyano-3-(trifluoromethyl)phenyl]-8-oxo-6-thioxo-5,7-diazaspiro[3.4]oct-5-yl]-2-fluoro-N-methylbenzamide
Brand: Angene Chemical
SKU: AG00H1CT

915087-27-3 | 4-[7-[4-Cyano-3-(trifluoromethyl)phenyl]-8-oxo-6-thioxo-5,7-diazaspiro[3.4]oct-5-yl]-2-fluoro-N-methylbenzamide

Chemical structure of 4-[7-[4-Cyano-3-(trifluoromethyl)phenyl]-8-oxo-6-thioxo-5,7-diazaspiro[3.4]oct-5-yl]-2-fluoro-N-methylbenzamide, CAS 915087-27-3

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CAS Number	915087-27-3
Catalog Number	AG00H1CT(AGN-PC-0WOK9V)
Chemical Name	4-[7-[4-Cyano-3-(trifluoromethyl)phenyl]-8-oxo-6-thioxo-5,7-diazaspiro[3.4]oct-5-yl]-2-fluoro-N-methylbenzamide
IUPAC Name	4-[7-[4-cyano-3-(trifluoromethyl)phenyl]-8-oxo-6-sulfanylidene-5,7-diazaspiro[3.4]octan-5-yl]-2-fluoro-N-methylbenzamide
InChI	InChI=1S/C22H16F4N4O2S/c1-28-18(31)15-6-5-14(10-17(15)23)30-20(33)29(19(32)21(30)7-2-8-21)13-4-3-12(11-27)16(9-13)22(24,25)26/h3-6,9-10H,2,7-8H2,1H3,(H,28,31)
InChI Key	JPQFGMYHKSKKGW-UHFFFAOYSA-N
MDL Number	MFCD09044588
Molecular Formula	C22H16F4N4O2S
Molecular Weight	476.4467
SMILES	C(#N)C1=C(C=C(C=C1)N1C(N(C2(CCC2)C1=O)C1=CC(=C(C(=O)NC)C=C1)F)=S)C(F)(F)F
Synonyms	RD 162, 915087-27-3, RD162, JPQFGMYHKSKKGW-UHFFFAOYSA-N, MLS006010318, SCHEMBL547156, CHEMBL1082410, BCP27723, RD-162, ZINC43150932, PB21237, NCGC00263137-01, NCGC00263137-02, SMR004701383, Q-4561, 4-[7-(4-CYANO-3-TRIFLUOROMETHYL-PHENYL)-8-OXO-6-THIOXO-5,7-DIAZA-SPIRO[3.4]OCT-5-YL]-2-FLUORO-N-METHYL-BENZAMIDE, N-methyl-4-[7-(4-cyano-3-trifluoromethylphenyl)-8-oxo-6-thioxo-5,7-diaza-spiro[3.4]oct-5-yl]-2-fluorobenzamide, N-Methyl-4-[7-(4-cyano-3-trifluoromethylphenyl)-8-oxo-6-thioxo-5,7-diazaspiro[3.4]octan-5-yl]-2-fluorobenzamide, CID11957756, CID 11957756,

Complexity	883
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	476.093g/mol
Formal Charge	0
Heavy Atom Count	33
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	476.45g/mol
Monoisotopic Mass	476.093g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	109A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

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Reviewed by:Jessie

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Angene International Limited