N-(8-butyl-4,4-dimethyl-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-yl)-N',N'-dimethylethane-1,2-diamine
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![N-(8-butyl-4,4-dimethyl-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-yl)-N',N'-dimethylethane-1,2-diamine structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/9d5e538658304a24917ea66b52152a43.png "N-(8-butyl-4,4-dimethyl-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-yl)-N',N'-dimethylethane-1,2-diamine")
N-(8-butyl-4,4-dimethyl-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-yl)-N',N'-dimethylethane-1,2-diamine
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CAS No:
372087-89-3
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Formula:
C22H31N5OS
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Chemical Name:
N-(8-butyl-4,4-dimethyl-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-yl)-N',N'-dimethylethane-1,2-diamine
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Synonyms:
N'-(5-butyl-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)-N,N-dimethylethane-1,2-diamine;Oprea1_671322;Oprea1_765868;ZINC2272092;STK721226;AKOS001776529;CCG-124962;MCULE-3306299430;NCGC00286146-01;AB01286838-01;AB01286838-03;372087-89-3
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CAS No:
N-(8-butyl-4,4-dimethyl-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-yl)-N',N'-dimethylethane-1,2-diamine Basic Attributes
413.6 g/mol
413.22493180 g/mol
Computed Properties
Molecular Weight:413.6
XLogP3:4.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:413.22493180
Monoisotopic Mass:413.22493180
Topological Polar Surface Area:91.4
Heavy Atom Count:29
Complexity:547
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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