[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-benzamidoacetate
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![[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-benzamidoacetate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/90789f9fb5a046a7ba43370d27f39cca.png "[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-benzamidoacetate")
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-benzamidoacetate
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CAS No:
733011-80-8
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Formula:
C21H21N3O4S
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Chemical Name:
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-benzamidoacetate
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Synonyms:
ZINC3314661;AKOS033699739;MCULE-5548699879;Z19680461;({3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}carbamoyl)methyl 2-(phenylformamido)acetate;733011-80-8
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CAS No:
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-benzamidoacetate Basic Attributes
411.5 g/mol
411.12527733 g/mol
Computed Properties
Molecular Weight:411.5
XLogP3:4.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:411.12527733
Monoisotopic Mass:411.12527733
Topological Polar Surface Area:137
Heavy Atom Count:29
Complexity:656
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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