[2-(3-acetylanilino)-2-oxoethyl] 4-(1,3-benzothiazol-2-yl)butanoate
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[2-(3-acetylanilino)-2-oxoethyl] 4-(1,3-benzothiazol-2-yl)butanoate
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CAS No:
733041-62-8
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Formula:
C21H20N2O4S
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Chemical Name:
[2-(3-acetylanilino)-2-oxoethyl] 4-(1,3-benzothiazol-2-yl)butanoate
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Synonyms:
ZINC3320157;AKOS033742413;MCULE-4697362461;AB00718200-01;Z20277237;[(3-acetylphenyl)carbamoyl]methyl 4-(1,3-benzothiazol-2-yl)butanoate;733041-62-8
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CAS No:
[2-(3-acetylanilino)-2-oxoethyl] 4-(1,3-benzothiazol-2-yl)butanoate Basic Attributes
396.5 g/mol
396.11437830 g/mol
Computed Properties
Molecular Weight:396.5
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:396.11437830
Monoisotopic Mass:396.11437830
Topological Polar Surface Area:114
Heavy Atom Count:28
Complexity:571
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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[2-(3-acetylanilino)-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate Formula
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[2-(2,4-difluoroanilino)-2-oxoethyl] 4-(1,3-benzothiazol-2-yl)butanoate Formula
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