1-[4-[(7-butyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)sulfanylmethylamino]phenyl]ethanone
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1-[4-[(7-butyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)sulfanylmethylamino]phenyl]ethanone
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CAS No:
672273-95-9
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Formula:
C25H26N4OS2
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Chemical Name:
1-[4-[(7-butyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)sulfanylmethylamino]phenyl]ethanone
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Synonyms:
ZINC1808163;STK721510;AKOS005530183;MCULE-5587648137;1-[4-({[(4-butyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)sulfanyl]methyl}amino)phenyl]ethanone;672273-95-9
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CAS No:
1-[4-[(7-butyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)sulfanylmethylamino]phenyl]ethanone Basic Attributes
462.6 g/mol
462.15480381 g/mol
Computed Properties
Molecular Weight:462.6
XLogP3:6.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:462.15480381
Monoisotopic Mass:462.15480381
Topological Polar Surface Area:121
Heavy Atom Count:32
Complexity:643
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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