Benzoic acid, 5-[[[(2-benzofuranylcarbonyl)amino]thioxomethyl]amino]-2-chloro-, 1-methylethyl ester (9CI)
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Benzoic acid, 5-[[[(2-benzofuranylcarbonyl)amino]thioxomethyl]amino]-2-chloro-, 1-methylethyl ester (9CI)
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CAS No:
591210-72-9
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Formula:
C20H17ClN2O4S
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Chemical Name:
Benzoic acid, 5-[[[(2-benzofuranylcarbonyl)amino]thioxomethyl]amino]-2-chloro-, 1-methylethyl ester (9CI)
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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
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CAS No:
Benzoic acid, 5-[[[(2-benzofuranylcarbonyl)amino]thioxomethyl]amino]-2-chloro-, 1-methylethyl ester (9CI) Basic Attributes
416.87798
416.06
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
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