benzyl 2-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]acetate
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![benzyl 2-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]acetate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/a88e815c8d9640ea8abd624fd8cafd84.png "benzyl 2-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]acetate")
benzyl 2-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]acetate
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CAS No:
746610-08-2
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Formula:
C20H20N2O3S2
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Chemical Name:
benzyl 2-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]acetate
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Synonyms:
ZINC2648000;AKOS034202784;MCULE-5495625108;SR-01000052727;SR-01000052727-1;Z33616689;benzyl 2-[4-(1,3-benzothiazol-2-ylsulfanyl)butanamido]acetate;746610-08-2
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CAS No:
benzyl 2-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]acetate Basic Attributes
400.5 g/mol
400.09153485 g/mol
Computed Properties
Molecular Weight:400.5
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:10
Exact Mass:400.09153485
Monoisotopic Mass:400.09153485
Topological Polar Surface Area:122
Heavy Atom Count:27
Complexity:486
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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