N',N'-dimethyl-N-(4,4,8-trimethyl-15-methylsulfanyl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12(17),13,15-hexaen-13-yl)propane-1,3-diamine
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![N',N'-dimethyl-N-(4,4,8-trimethyl-15-methylsulfanyl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12(17),13,15-hexaen-13-yl)propane-1,3-diamine structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/848fd0b1d5a243c48a1f15dcbd924a13.png "N',N'-dimethyl-N-(4,4,8-trimethyl-15-methylsulfanyl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12(17),13,15-hexaen-13-yl)propane-1,3-diamine")
N',N'-dimethyl-N-(4,4,8-trimethyl-15-methylsulfanyl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12(17),13,15-hexaen-13-yl)propane-1,3-diamine
structure -
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CAS No:
836643-39-1
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Formula:
C21H29N5OS2
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Chemical Name:
N',N'-dimethyl-N-(4,4,8-trimethyl-15-methylsulfanyl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12(17),13,15-hexaen-13-yl)propane-1,3-diamine
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Synonyms:
ZINC2252918;STK721646;AKOS005530313;MCULE-1564272567;836643-39-1;N,N-dimethyl-N'-[2,2,5-trimethyl-10-(methylsulfanyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]propane-1,3-diamine
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CAS No:
N',N'-dimethyl-N-(4,4,8-trimethyl-15-methylsulfanyl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12(17),13,15-hexaen-13-yl)propane-1,3-diamine Basic Attributes
431.6 g/mol
431.18135291 g/mol
Computed Properties
Molecular Weight:431.6
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:431.18135291
Monoisotopic Mass:431.18135291
Topological Polar Surface Area:117
Heavy Atom Count:29
Complexity:565
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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