N-[2-(3,4-dimethoxyphenyl)ethyl]-5,5,13-trimethyl-6-oxa-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11,13,15-hexaen-15-amine
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![N-[2-(3,4-dimethoxyphenyl)ethyl]-5,5,13-trimethyl-6-oxa-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11,13,15-hexaen-15-amine structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/7bab5b2127bc4212baf7dceeddcb79ed.png "N-[2-(3,4-dimethoxyphenyl)ethyl]-5,5,13-trimethyl-6-oxa-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11,13,15-hexaen-15-amine")
N-[2-(3,4-dimethoxyphenyl)ethyl]-5,5,13-trimethyl-6-oxa-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11,13,15-hexaen-15-amine
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CAS No:
838842-98-1
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Formula:
C25H28N4O3S
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Chemical Name:
N-[2-(3,4-dimethoxyphenyl)ethyl]-5,5,13-trimethyl-6-oxa-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11,13,15-hexaen-15-amine
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Synonyms:
CBKinase1_012278;CBKinase1_024678;SCHEMBL23378195;ZINC2447357;STK856756;AKOS005631957;MCULE-5662361400;BRD-K61645258-001-01-0;838842-98-1;N-[2-(3,4-dimethoxyphenyl)ethyl]-2,8,8-trimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-amine
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CAS No:
N-[2-(3,4-dimethoxyphenyl)ethyl]-5,5,13-trimethyl-6-oxa-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11,13,15-hexaen-15-amine Basic Attributes
464.6 g/mol
464.18821194 g/mol
Computed Properties
Molecular Weight:464.6
XLogP3:4.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:464.18821194
Monoisotopic Mass:464.18821194
Topological Polar Surface Area:107
Heavy Atom Count:33
Complexity:670
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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