4,4-dimethyl-8-(2-methylpropyl)-15-methylsulfanyl-13-piperazin-1-yl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene
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![4,4-dimethyl-8-(2-methylpropyl)-15-methylsulfanyl-13-piperazin-1-yl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/e5542786db0b4b698fe1153fa926ca99.png "4,4-dimethyl-8-(2-methylpropyl)-15-methylsulfanyl-13-piperazin-1-yl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene")
4,4-dimethyl-8-(2-methylpropyl)-15-methylsulfanyl-13-piperazin-1-yl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene
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CAS No:
848921-90-4
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Formula:
C23H31N5OS2
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Chemical Name:
4,4-dimethyl-8-(2-methylpropyl)-15-methylsulfanyl-13-piperazin-1-yl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene
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Synonyms:
ZINC2442716;STL304390;AKOS022120993;MCULE-5889358285;2,2-dimethyl-5-(2-methylpropyl)-10-(methylsulfanyl)-8-(piperazin-1-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine;848921-90-4
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CAS No:
4,4-dimethyl-8-(2-methylpropyl)-15-methylsulfanyl-13-piperazin-1-yl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene Basic Attributes
457.7 g/mol
457.19700298 g/mol
Computed Properties
Molecular Weight:457.7
XLogP3:4.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:457.19700298
Monoisotopic Mass:457.19700298
Topological Polar Surface Area:117
Heavy Atom Count:31
Complexity:631
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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