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Home > Encyclopedia > Benzoic acid, 2-[[[4-(2-benzothiazolyl)-1-piperidinyl]thioxomethyl]amino]-, methyl ester (9CI)

Benzoic acid, 2-[[[4-(2-benzothiazolyl)-1-piperidinyl]thioxomethyl]amino]-, methyl ester (9CI)

Benzoic acid, 2-[[[4-(2-benzothiazolyl)-1-piperidinyl]thioxomethyl]amino]-, methyl ester (9CI) structure

Benzoic acid, 2-[[[4-(2-benzothiazolyl)-1-piperidinyl]thioxomethyl]amino]-, methyl ester (9CI) 

structure
  • CAS No:

    605629-22-9

  • Formula:

    C21H21N3O2S2

  • Chemical Name:

    Benzoic acid, 2-[[[4-(2-benzothiazolyl)-1-piperidinyl]thioxomethyl]amino]-, methyl ester (9CI)

  • Synonyms:

    CTK8J5808;ZINC1327222;Methyl 2-({[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]carbonothioyl}amino)benzoate

Benzoic acid, 2-[[[4-(2-benzothiazolyl)-1-piperidinyl]thioxomethyl]amino]-, methyl ester (9CI) Basic Attributes

411.54034

411.108

Characteristics

115

4.8

Computed Properties

Molecular Weight:411.5
XLogP3:4.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:411.10751927
Monoisotopic Mass:411.10751927
Topological Polar Surface Area:115
Heavy Atom Count:28
Complexity:568
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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