6'-amino-5-fluoro-3'-{[(4-methylphenyl)sulfanyl]methyl}-1,1',3,4'-tetrahydro-2-oxospiro(2H-indole-3,4'-pyrano[2,3-c]pyrazole)-5'-carbonitrile
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![6'-amino-5-fluoro-3'-{[(4-methylphenyl)sulfanyl]methyl}-1,1',3,4'-tetrahydro-2-oxospiro(2H-indole-3,4'-pyrano[2,3-c]pyrazole)-5'-carbonitrile structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/c35218ec133245fe9e47d060c3a1fe4a.png "6'-amino-5-fluoro-3'-{[(4-methylphenyl)sulfanyl]methyl}-1,1',3,4'-tetrahydro-2-oxospiro(2H-indole-3,4'-pyrano[2,3-c]pyrazole)-5'-carbonitrile")
6'-amino-5-fluoro-3'-{[(4-methylphenyl)sulfanyl]methyl}-1,1',3,4'-tetrahydro-2-oxospiro(2H-indole-3,4'-pyrano[2,3-c]pyrazole)-5'-carbonitrile
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CAS No:
674807-58-0
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Formula:
C22H16FN5O2S
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Chemical Name:
6'-amino-5-fluoro-3'-{[(4-methylphenyl)sulfanyl]methyl}-1,1',3,4'-tetrahydro-2-oxospiro(2H-indole-3,4'-pyrano[2,3-c]pyrazole)-5'-carbonitrile
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Synonyms:
6"-amino-5-fluoro-3"-{[(4-methylphenyl)sulfanyl]methyl}-1,1",3,4"-tetrahydro-2-oxospiro(2H-indole-3,4"-pyrano[2,3-c]pyrazole)-5"-carbonitrile;SMR000148694;MLS000557978;CHEMBL1585767;HMS2410E12;RSC003040;STL054794;AKOS003681745;AKOS005707527;MCULE-7175315343
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CAS No:
6'-amino-5-fluoro-3'-{[(4-methylphenyl)sulfanyl]methyl}-1,1',3,4'-tetrahydro-2-oxospiro(2H-indole-3,4'-pyrano[2,3-c]pyrazole)-5'-carbonitrile Basic Attributes
433.4581432
433.101
Computed Properties
Molecular Weight:433.5
XLogP3:3.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:433.10087411
Monoisotopic Mass:433.10087411
Topological Polar Surface Area:142
Heavy Atom Count:31
Complexity:822
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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