methyl 2-[(7-phenyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]acetate
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methyl 2-[(7-phenyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]acetate
structure -
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CAS No:
488858-53-3
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Formula:
C20H18N4O2S2
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Chemical Name:
methyl 2-[(7-phenyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]acetate
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Synonyms:
ZINC1425823;STK777818;AKOS001737604;MCULE-1652404524;488858-53-3;methyl [(5-phenyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]acetate;methyl 2-[(5-phenyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]acetate
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CAS No:
methyl 2-[(7-phenyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]acetate Basic Attributes
410.5 g/mol
410.08711818 g/mol
Computed Properties
Molecular Weight:410.5
XLogP3:5.5
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:410.08711818
Monoisotopic Mass:410.08711818
Topological Polar Surface Area:123
Heavy Atom Count:28
Complexity:576
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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