4,4-dimethyl-15-methylsulfanyl-13-piperazin-1-yl-8-propan-2-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-15-methylsulfanyl-13-piperazin-1-yl-8-propan-2-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/a3c3ff7e9d5549f8894f0cf2144ae918.png "4,4-dimethyl-15-methylsulfanyl-13-piperazin-1-yl-8-propan-2-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-15-methylsulfanyl-13-piperazin-1-yl-8-propan-2-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:
844450-54-0
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Formula:
C22H29N5OS2
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Chemical Name:
4,4-dimethyl-15-methylsulfanyl-13-piperazin-1-yl-8-propan-2-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:
ZINC2401723;STL304363;AKOS022120834;MCULE-8379931654;2,2-dimethyl-10-(methylsulfanyl)-8-(piperazin-1-yl)-5-(propan-2-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine;844450-54-0
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CAS No:
4,4-dimethyl-15-methylsulfanyl-13-piperazin-1-yl-8-propan-2-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
443.6 g/mol
443.18135291 g/mol
Computed Properties
Molecular Weight:443.6
XLogP3:4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:3
Exact Mass:443.18135291
Monoisotopic Mass:443.18135291
Topological Polar Surface Area:117
Heavy Atom Count:30
Complexity:616
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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