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Home > Encyclopedia > dimethyl 2-[[2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetyl]amino]benzene-1,4-dicarboxylate

dimethyl 2-[[2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetyl]amino]benzene-1,4-dicarboxylate

dimethyl 2-[[2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetyl]amino]benzene-1,4-dicarboxylate structure

dimethyl 2-[[2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetyl]amino]benzene-1,4-dicarboxylate 

structure
  • CAS No:

    385401-71-8

  • Formula:

    C21H19N3O5S2

  • Chemical Name:

    dimethyl 2-[[2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetyl]amino]benzene-1,4-dicarboxylate

  • Synonyms:

    ZINC2087812;AKOS001424019;MCULE-2351014250;UPCMLD0ENAT5832424:001;Z20228663;1,4-dimethyl 2-(2-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}acetamido)benzene-1,4-dicarboxylate;385401-71-8

dimethyl 2-[[2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetyl]amino]benzene-1,4-dicarboxylate Basic Attributes

457.5 g/mol

457.07661306 g/mol

Characteristics

161 Ų

Computed Properties

Molecular Weight:457.5
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:8
Exact Mass:457.07661306
Monoisotopic Mass:457.07661306
Topological Polar Surface Area:161
Heavy Atom Count:31
Complexity:696
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of dimethyl 2-[[2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetyl]amino]benzene-1,4-dicarboxylate

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