5-amino-N-[4-(trifluoromethoxy)phenyl]-7-thia-1,9-diazatetracyclo[9.2.2.0~2,10~.0~4,8~]pentadeca-2(10),3,5,8-tetraene-6-carboxamide
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![5-amino-N-[4-(trifluoromethoxy)phenyl]-7-thia-1,9-diazatetracyclo[9.2.2.0~2,10~.0~4,8~]pentadeca-2(10),3,5,8-tetraene-6-carboxamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/e1299bde9b47408a8c1539c63b5dc0f5.png "5-amino-N-[4-(trifluoromethoxy)phenyl]-7-thia-1,9-diazatetracyclo[9.2.2.0~2,10~.0~4,8~]pentadeca-2(10),3,5,8-tetraene-6-carboxamide")
5-amino-N-[4-(trifluoromethoxy)phenyl]-7-thia-1,9-diazatetracyclo[9.2.2.0~2,10~.0~4,8~]pentadeca-2(10),3,5,8-tetraene-6-carboxamide
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CAS No:
728003-22-3
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Formula:
C20H17F3N4O2S
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Chemical Name:
5-amino-N-[4-(trifluoromethoxy)phenyl]-7-thia-1,9-diazatetracyclo[9.2.2.0~2,10~.0~4,8~]pentadeca-2(10),3,5,8-tetraene-6-carboxamide
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Synonyms:
5-amino-N-[4-(trifluoromethoxy)phenyl]-7-thia-1,9-diazatetracyclo[9.2.2.0^{2,10}.0^{4,8}]pentadeca-2(10),3,5,8-tetraene-6-carboxamide;5-amino-N-[4-(trifluoromethoxy)phenyl]-7-thia-1,9-diazatetracyclo[9.2.2.0~2,10~.0~4,8~]pentadeca-2(10),3,5,8-tetraene-6-carboxamide;CHEMBL1360225;KS-00003RMI;HMS1808P10;ZINC8590769;RSC000434;STK686276;AKOS004112960;MCULE-4281295382
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CAS No:
5-amino-N-[4-(trifluoromethoxy)phenyl]-7-thia-1,9-diazatetracyclo[9.2.2.0~2,10~.0~4,8~]pentadeca-2(10),3,5,8-tetraene-6-carboxamide Basic Attributes
434.4347896
434.102
Computed Properties
Molecular Weight:434.4
XLogP3:4.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:3
Exact Mass:434.10243146
Monoisotopic Mass:434.10243146
Topological Polar Surface Area:109
Heavy Atom Count:30
Complexity:653
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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