N'-(3-benzyl-1,3-be...

N'-(3-benzyl-1,3-benzothiazol-2(3H)-ylidene)pyridine-4-carbohydrazide(CAS No. 71085-99-9)

N'-(3-benzyl-1,3-benzothiazol-2(3H)-ylidene)pyridine-4-carbohydrazide(CAS No. 71085-99-9)

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  • Purity: 99%
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Keywords

N-[(3-benzylbenzothiazol-2-ylidene)amino]pyridine-4-carboxamide 71085-99-9 98%

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  • Appearance:Solid
  • Application:Organic Chemicals
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Details:

【Name】
N'-(3-benzyl-1,3-benzothiazol-2(3H)-ylidene)pyridine-4-carbohydrazide
【CAS Registry number】
71085-99-9
【Synonyms】
AC1L7A8R
N-[(3-benzyl-1,3-benzothiazol-2-ylidene)amino]pyridine-4-carboxamide
【Molecular Formula】
C20H16N4OS (Products with the same molecular formula)
【Molecular Weight】
360.4322
【Inchi】
InChI=1/C20H16N4OS/c25-19(16-10-12-21-13-11-16)22-23-20-24(14-15-6-2-1-3-7-15)17-8-4-5-9-18(17)26-20/h1-13H,14H2,(H,22,25)
【Canonical SMILES】
C1=CC=C(C=C1)CN2C3=CC=CC=C3SC2=NNC(=O)C4=CC=NC=C4
【MOL File】
71085-99-9.mol
Chemical and Physical Properties
【Density】
1.3g/cm3
【Refractive Index】
1.693
【Computed Properties】
Molecular Weight:360.43224 [g/mol]
Molecular Formula:C20H16N4OS
XLogP3-AA:3.7
H-Bond Donor:1
H-Bond Acceptor:4
Rotatable Bond Count:4
Tautomer Count:2
Exact Mass:360.104482
MonoIsotopic Mass:360.104482
Topological Polar Surface Area:82.9
Heavy Atom Count:26
Formal Charge:0
Complexity:514
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Donor Count:1
Feature 3D Cation Count:1
Feature 3D Ring Count:4
Effective Rotor Count:5
Conformer Sampling RMSD:0.8
CID Conformer Count:7

 

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