14,14-dimethyl-7-methylsulfanyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
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![14,14-dimethyl-7-methylsulfanyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/02f88d9fced040ce856217066b1cb63e.png "14,14-dimethyl-7-methylsulfanyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene")
14,14-dimethyl-7-methylsulfanyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
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CAS No:
799780-73-7
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Formula:
C22H22N4OS3
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Chemical Name:
14,14-dimethyl-7-methylsulfanyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
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Synonyms:
ZINC2211689;STK550125;AKOS005477761;10,10-dimethyl-5-(methylsulfanyl)-3-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine;799780-73-7
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CAS No:
14,14-dimethyl-7-methylsulfanyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene Basic Attributes
454.6 g/mol
454.09557486 g/mol
Computed Properties
Molecular Weight:454.6
XLogP3:6
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:454.09557486
Monoisotopic Mass:454.09557486
Topological Polar Surface Area:131
Heavy Atom Count:30
Complexity:630
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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