N-benzyl-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-amine
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![N-benzyl-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-amine structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/9e68adb0d50442a1a6d6fd5e1b88e3d8.png "N-benzyl-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-amine")
N-benzyl-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-amine
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CAS No:
372175-04-7
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Formula:
C25H28N4OS
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Chemical Name:
N-benzyl-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-amine
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Synonyms:
N-benzyl-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-amine;ChemDiv3_005599;Oprea1_207548;Oprea1_566025;HMS1488O11;ZINC2275273;STK830138;AKOS001679781;MCULE-4947670212;IDI1_023509;EU-0082738;BRD-K89937668-001-01-3;372175-04-7
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CAS No:
N-benzyl-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-amine Basic Attributes
432.6 g/mol
432.19838270 g/mol
Computed Properties
Molecular Weight:432.6
XLogP3:5.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:432.19838270
Monoisotopic Mass:432.19838270
Topological Polar Surface Area:88.2
Heavy Atom Count:31
Complexity:598
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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