ethyl 4-({[5-amino-7-thia-1,9-diazatetracyclo[9.2.2.0~2,10~.0~4,8~]pentadeca-2(10),3,5,8-tetraen-6-yl]carbonyl}amino)benzoate
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ethyl 4-({[5-amino-7-thia-1,9-diazatetracyclo[9.2.2.0~2,10~.0~4,8~]pentadeca-2(10),3,5,8-tetraen-6-yl]carbonyl}amino)benzoate
structure -
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CAS No:
728003-27-8
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Formula:
C22H22N4O3S
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Chemical Name:
ethyl 4-({[5-amino-7-thia-1,9-diazatetracyclo[9.2.2.0~2,10~.0~4,8~]pentadeca-2(10),3,5,8-tetraen-6-yl]carbonyl}amino)benzoate
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Synonyms:
ethyl 4-{5-amino-7-thia-1,9-diazatetracyclo[9.2.2.0^{2,10}.0^{4,8}]pentadeca-2(10),3,5,8-tetraene-6-amido}benzoate;CHEMBL1375280;KS-00003RMP;HMS1808D12;ZINC8590778;RSC000429;STK686279;AKOS001754454;MCULE-9615445653;SS-0080
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CAS No:
ethyl 4-({[5-amino-7-thia-1,9-diazatetracyclo[9.2.2.0~2,10~.0~4,8~]pentadeca-2(10),3,5,8-tetraen-6-yl]carbonyl}amino)benzoate Basic Attributes
422.50008
422.141
Computed Properties
Molecular Weight:422.5
XLogP3:3.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:422.14126175
Monoisotopic Mass:422.14126175
Topological Polar Surface Area:126
Heavy Atom Count:30
Complexity:663
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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