Benzoic acid, 2-[[[4-(2-benzothiazolyl)-1-piperidinyl]thioxomethyl]amino]-, methyl ester (9CI)
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Benzoic acid, 2-[[[4-(2-benzothiazolyl)-1-piperidinyl]thioxomethyl]amino]-, methyl ester (9CI)
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CAS No:
605629-22-9
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Formula:
C21H21N3O2S2
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Chemical Name:
Benzoic acid, 2-[[[4-(2-benzothiazolyl)-1-piperidinyl]thioxomethyl]amino]-, methyl ester (9CI)
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Synonyms:
CTK8J5808;ZINC1327222;Methyl 2-({[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]carbonothioyl}amino)benzoate
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CAS No:
Benzoic acid, 2-[[[4-(2-benzothiazolyl)-1-piperidinyl]thioxomethyl]amino]-, methyl ester (9CI) Basic Attributes
411.54034
411.108
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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