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Home > Encyclopedia > Benzoic acid, 3-[[4-(1H-benzimidazol-2-yl)-1-piperidinyl]sulfonyl]-, methyl ester (9CI)

Benzoic acid, 3-[[4-(1H-benzimidazol-2-yl)-1-piperidinyl]sulfonyl]-, methyl ester (9CI)

Benzoic acid, 3-[[4-(1H-benzimidazol-2-yl)-1-piperidinyl]sulfonyl]-, methyl ester (9CI) structure

Benzoic acid, 3-[[4-(1H-benzimidazol-2-yl)-1-piperidinyl]sulfonyl]-, methyl ester (9CI) 

structure
  • CAS No:

    606082-30-8

  • Formula:

    C20H21N3O4S

  • Chemical Name:

    Benzoic acid, 3-[[4-(1H-benzimidazol-2-yl)-1-piperidinyl]sulfonyl]-, methyl ester (9CI)

  • Synonyms:

    CTK8J5855;ZINC1327514;AKOS033895542;MCULE-7160701736;Z240271594;methyl 3-{[4-(1H-1,3-benzodiazol-2-yl)piperidin-1-yl]sulfonyl}benzoate;Methyl 3-{[4-(1H-benzimidazol-2-yl)-1-piperidinyl]sulfonyl}benzoate

Benzoic acid, 3-[[4-(1H-benzimidazol-2-yl)-1-piperidinyl]sulfonyl]-, methyl ester (9CI) Basic Attributes

399.46344

399.125

Characteristics

101

2.8

1.365±0.06 g/cm3(Predicted)

Computed Properties

Molecular Weight:399.5
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:399.12527733
Monoisotopic Mass:399.12527733
Topological Polar Surface Area:101
Heavy Atom Count:28
Complexity:657
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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