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Home > Encyclopedia > [2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-benzoylbenzoate

[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-benzoylbenzoate

[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-benzoylbenzoate structure

[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-benzoylbenzoate 

structure
  • CAS No:

    733014-98-7

  • Formula:

    C26H22N2O4S

  • Chemical Name:

    [2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-benzoylbenzoate

  • Synonyms:

    ZINC3315916;AKOS033698402;MCULE-6577535029;Z19663290;({3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}carbamoyl)methyl 2-benzoylbenzoate;733014-98-7

[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-benzoylbenzoate Basic Attributes

458.5 g/mol

458.13002836 g/mol

Characteristics

125 Ų

Computed Properties

Molecular Weight:458.5
XLogP3:6.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:458.13002836
Monoisotopic Mass:458.13002836
Topological Polar Surface Area:125
Heavy Atom Count:33
Complexity:772
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of [2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-benzoylbenzoate

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