8-butyl-4,4-dimethyl-N-(2-methylpropyl)-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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![8-butyl-4,4-dimethyl-N-(2-methylpropyl)-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/20220811/8b1059eb06ad4dc1bee897e886b6a3e8.png "8-butyl-4,4-dimethyl-N-(2-methylpropyl)-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")
8-butyl-4,4-dimethyl-N-(2-methylpropyl)-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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CAS No:
372175-06-9
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Formula:
C22H30N4OS
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Chemical Name:
8-butyl-4,4-dimethyl-N-(2-methylpropyl)-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_192528;Oprea1_275263;ZINC2117768;STK833322;AKOS001679609;MCULE-3977291408;AL-281/41807960;372175-06-9;5-butyl-2,2-dimethyl-N-(2-methylpropyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-amine;5-butyl-N-isobutyl-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-amine;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-isobutylamine
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CAS No:
8-butyl-4,4-dimethyl-N-(2-methylpropyl)-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
398.6 g/mol
398.21403277 g/mol
Computed Properties
Molecular Weight:398.6
XLogP3:5.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:398.21403277
Monoisotopic Mass:398.21403277
Topological Polar Surface Area:88.2
Heavy Atom Count:28
Complexity:531
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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