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Home > Encyclopedia > Benzoic acid, 5-[[[(2-benzofuranylcarbonyl)amino]thioxomethyl]amino]-2-chloro-, 1-methylethyl ester (9CI)

Benzoic acid, 5-[[[(2-benzofuranylcarbonyl)amino]thioxomethyl]amino]-2-chloro-, 1-methylethyl ester (9CI)

Benzoic acid, 5-[[[(2-benzofuranylcarbonyl)amino]thioxomethyl]amino]-2-chloro-, 1-methylethyl ester (9CI) structure

Benzoic acid, 5-[[[(2-benzofuranylcarbonyl)amino]thioxomethyl]amino]-2-chloro-, 1-methylethyl ester (9CI) 

structure
  • CAS No:

    591210-72-9

  • Formula:

    C20H17ClN2O4S

  • Chemical Name:

    Benzoic acid, 5-[[[(2-benzofuranylcarbonyl)amino]thioxomethyl]amino]-2-chloro-, 1-methylethyl ester (9CI)

  • Synonyms:

    propan-2-yl 5-{[(1-benzofuran-2-ylcarbonyl)carbamothioyl]amino}-2-chlorobenzoate;Oprea1_240961;CTK8J4960;ZINC4615654;STK036828;AKOS000430105;MCULE-8833651570;Isopropyl 5-{[(1-benzo[b]furan-2-ylcarbonyl)carbamothioyl]amino}-2-chlorobenzoate

Benzoic acid, 5-[[[(2-benzofuranylcarbonyl)amino]thioxomethyl]amino]-2-chloro-, 1-methylethyl ester (9CI) Basic Attributes

416.87798

416.06

Characteristics

113

5.5

1.395±0.06 g/cm3(Predicted)

Computed Properties

Molecular Weight:416.9
XLogP3:5.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:416.0597559
Monoisotopic Mass:416.0597559
Topological Polar Surface Area:113
Heavy Atom Count:28
Complexity:603
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of Benzoic acid, 5-[[[(2-benzofuranylcarbonyl)amino]thioxomethyl]amino]-2-chloro-, 1-methylethyl ester (9CI)

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