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Home > Encyclopedia > methyl 2-[(7-phenyl-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

methyl 2-[(7-phenyl-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

methyl 2-[(7-phenyl-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

methyl 2-[(7-phenyl-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
  • CAS No:

    488858-53-3

  • Formula:

    C20H18N4O2S2

  • Chemical Name:

    methyl 2-[(7-phenyl-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

  • Synonyms:

    ZINC1425823;STK777818;AKOS001737604;MCULE-1652404524;488858-53-3;methyl [(5-phenyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]acetate;methyl 2-[(5-phenyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]acetate

methyl 2-[(7-phenyl-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

410.5 g/mol

410.08711818 g/mol

Characteristics

123 Ų

Computed Properties

Molecular Weight:410.5
XLogP3:5.5
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:410.08711818
Monoisotopic Mass:410.08711818
Topological Polar Surface Area:123
Heavy Atom Count:28
Complexity:576
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of methyl 2-[(7-phenyl-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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