N'-(4,4-dimethyl-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-hexaen-13-yl)butane-1,4-diamine
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![N'-(4,4-dimethyl-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-hexaen-13-yl)butane-1,4-diamine structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/7b84a1af60b846eb91f66e64b4457402.png "N'-(4,4-dimethyl-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-hexaen-13-yl)butane-1,4-diamine")
N'-(4,4-dimethyl-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-hexaen-13-yl)butane-1,4-diamine
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CAS No:
843670-30-4
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Formula:
C21H29N5OS
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Chemical Name:
N'-(4,4-dimethyl-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-hexaen-13-yl)butane-1,4-diamine
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Synonyms:
ZINC2409685;STL304507;AKOS022102422;MCULE-5617085983;843670-30-4;N-[2,2-dimethyl-5-(propan-2-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]butane-1,4-diamine
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CAS No:
N'-(4,4-dimethyl-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-hexaen-13-yl)butane-1,4-diamine Basic Attributes
399.6 g/mol
399.20928174 g/mol
Computed Properties
Molecular Weight:399.6
XLogP3:3.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:399.20928174
Monoisotopic Mass:399.20928174
Topological Polar Surface Area:114
Heavy Atom Count:28
Complexity:533
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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