methyl 2-[(7-benzylsulfanyl-14,14-dimethyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]acetate
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methyl 2-[(7-benzylsulfanyl-14,14-dimethyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]acetate
structure -
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CAS No:
585561-30-4
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Formula:
C22H22N4O3S3
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Chemical Name:
methyl 2-[(7-benzylsulfanyl-14,14-dimethyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]acetate
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Synonyms:
ZINC2392521;STK829799;AKOS001491804;MCULE-7750184115;585561-30-4;methyl {[5-(benzylsulfanyl)-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}acetate;methyl {[5-(benzylthio)-10,10-dimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]thio}acetate
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CAS No:
methyl 2-[(7-benzylsulfanyl-14,14-dimethyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]acetate Basic Attributes
486.6 g/mol
486.08540410 g/mol
Computed Properties
Molecular Weight:486.6
XLogP3:5.3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:7
Exact Mass:486.08540410
Monoisotopic Mass:486.08540410
Topological Polar Surface Area:157
Heavy Atom Count:32
Complexity:681
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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