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

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

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

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

structure
  • CAS No:

    605629-23-0

  • Formula:

    C21H21N3O3S

  • Chemical Name:

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

  • Synonyms:

    CTK8J5809;ZINC1327223;AKOS000763442;Methyl 2-({[4-(1,3-benzoxazol-2-yl)-1-piperidinyl]carbonothioyl}amino)benzoate

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

395.47474

395.13

Characteristics

99.7

4.2

Computed Properties

Molecular Weight:395.5
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:395.13036271
Monoisotopic Mass:395.13036271
Topological Polar Surface Area:99.7
Heavy Atom Count:28
Complexity:567
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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