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Home > Encyclopedia > methyl 4-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanylmethyl)benzoate

methyl 4-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanylmethyl)benzoate

methyl 4-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanylmethyl)benzoate structure

methyl 4-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanylmethyl)benzoate 

structure
  • CAS No:

    438028-37-6

  • Formula:

    C18H16N2O2S2

  • Chemical Name:

    methyl 4-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanylmethyl)benzoate

  • Synonyms:

    ZINC3236835;AKOS033737216;MCULE-2293506765;AB00713130-01;Z20228538;438028-37-6;methyl 4-({7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}methyl)benzoate

methyl 4-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanylmethyl)benzoate Basic Attributes

356.5 g/mol

356.06532010 g/mol

Characteristics

106 Ų

Computed Properties

Molecular Weight:356.5
XLogP3:4.4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:356.06532010
Monoisotopic Mass:356.06532010
Topological Polar Surface Area:106
Heavy Atom Count:24
Complexity:456
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of methyl 4-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanylmethyl)benzoate

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