7-(1-adamantyl)-4-hydroxy-9-(trifluoromethyl)pyrido[2',3':4,5]thieno[2,3-b]pyridin-2(1H)-one
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7-(1-adamantyl)-4-hydroxy-9-(trifluoromethyl)pyrido[2',3':4,5]thieno[2,3-b]pyridin-2(1H)-one
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CAS No:
489416-85-5
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Formula:
C21H19F3N2O2S
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Chemical Name:
7-(1-adamantyl)-4-hydroxy-9-(trifluoromethyl)pyrido[2',3':4,5]thieno[2,3-b]pyridin-2(1H)-one
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Synonyms:
7-(1-adamantyl)-4-hydroxy-9-(trifluoromethyl)pyrido[2",3":4,5]thieno[2,3-b]pyridin-2(1H)-one;489416-85-5;11-(adamantan-1-yl)-6-hydroxy-13-(trifluoromethyl)-8-thia-3,10-diazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),5,9,11-pentaen-4-one;UNM000000675301;KS-00003RX2;CCG-22687;RSC001039;STK846546;ZINC17147048;AKOS001663228
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CAS No:
7-(1-adamantyl)-4-hydroxy-9-(trifluoromethyl)pyrido[2',3':4,5]thieno[2,3-b]pyridin-2(1H)-one Basic Attributes
420.4479696
420.112
Computed Properties
Molecular Weight:420.4
XLogP3:4.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:1
Exact Mass:420.11193351
Monoisotopic Mass:420.11193351
Topological Polar Surface Area:90.5
Heavy Atom Count:29
Complexity:728
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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