4,4-dimethyl-N-(3-methylbutyl)-8-phenyl-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-hexaen-13-amine
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![4,4-dimethyl-N-(3-methylbutyl)-8-phenyl-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-hexaen-13-amine structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/ba62c06fb9664168a9fcd46f3822d90e.png "4,4-dimethyl-N-(3-methylbutyl)-8-phenyl-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-hexaen-13-amine")
4,4-dimethyl-N-(3-methylbutyl)-8-phenyl-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-hexaen-13-amine
structure -
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CAS No:
841207-33-8
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Formula:
C25H28N4OS
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Chemical Name:
4,4-dimethyl-N-(3-methylbutyl)-8-phenyl-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-hexaen-13-amine
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Synonyms:
Oprea1_593967;ZINC9471550;STK555455;AKOS005483194;MCULE-7005251472;2,2-dimethyl-N-(3-methylbutyl)-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-amine;841207-33-8
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CAS No:
4,4-dimethyl-N-(3-methylbutyl)-8-phenyl-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-hexaen-13-amine Basic Attributes
432.6 g/mol
432.19838270 g/mol
Computed Properties
Molecular Weight:432.6
XLogP3:5.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:432.19838270
Monoisotopic Mass:432.19838270
Topological Polar Surface Area:88.2
Heavy Atom Count:31
Complexity:610
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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