2-[4-(7-butyl-14-methylsulfanyl-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)piperazin-1-yl]ethanol
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![2-[4-(7-butyl-14-methylsulfanyl-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)piperazin-1-yl]ethanol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/5765df76f1874a20851442b99223474b.png "2-[4-(7-butyl-14-methylsulfanyl-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)piperazin-1-yl]ethanol")
2-[4-(7-butyl-14-methylsulfanyl-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)piperazin-1-yl]ethanol
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CAS No:
844452-72-8
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Formula:
C23H31N5OS2
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Chemical Name:
2-[4-(7-butyl-14-methylsulfanyl-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)piperazin-1-yl]ethanol
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Synonyms:
STL304173;ZINC20357803;AKOS022120937;MCULE-3678468245;2-{4-[4-butyl-9-(methylsulfanyl)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl]piperazin-1-yl}ethanol;844452-72-8
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CAS No:
2-[4-(7-butyl-14-methylsulfanyl-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)piperazin-1-yl]ethanol Basic Attributes
457.7 g/mol
457.19700298 g/mol
Computed Properties
Molecular Weight:457.7
XLogP3:4.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:457.19700298
Monoisotopic Mass:457.19700298
Topological Polar Surface Area:119
Heavy Atom Count:31
Complexity:592
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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