16-butyl-12-sulfanylidene-9-thia-11,13,14,16-tetrazatetracyclo[8.7.0.02,8.011,15]heptadeca-1(10),2(8),14-trien-17-one
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16-butyl-12-sulfanylidene-9-thia-11,13,14,16-tetrazatetracyclo[8.7.0.02,8.011,15]heptadeca-1(10),2(8),14-trien-17-one
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CAS No:
351005-01-1
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Formula:
C16H20N4OS2
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Chemical Name:
16-butyl-12-sulfanylidene-9-thia-11,13,14,16-tetrazatetracyclo[8.7.0.02,8.011,15]heptadeca-1(10),2(8),14-trien-17-one
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Synonyms:
Oprea1_861223;ZINC5737594;STK722403;AKOS005530749;MCULE-9718133180;351005-01-1;4-butyl-1-sulfanyl-7,8,9,10-tetrahydro-6H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
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CAS No:
16-butyl-12-sulfanylidene-9-thia-11,13,14,16-tetrazatetracyclo[8.7.0.02,8.011,15]heptadeca-1(10),2(8),14-trien-17-one Basic Attributes
348.5 g/mol
348.10785362 g/mol
Computed Properties
Molecular Weight:348.5
XLogP3:4.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:348.10785362
Monoisotopic Mass:348.10785362
Topological Polar Surface Area:108
Heavy Atom Count:23
Complexity:552
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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