[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate
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![[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/dd7e1fe971d24fc4af76001760a2d94c.png "[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate")
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate
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CAS No:
561289-96-1
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Formula:
C20H18N2O5S
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Chemical Name:
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate
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Synonyms:
ZINC2619971;AKOS033612153;MCULE-8571469585;Z18362100;({3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}carbamoyl)methyl 2H-1,3-benzodioxole-5-carboxylate;561289-96-1
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CAS No:
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate Basic Attributes
398.4 g/mol
398.09364285 g/mol
Computed Properties
Molecular Weight:398.4
XLogP3:4.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:398.09364285
Monoisotopic Mass:398.09364285
Topological Polar Surface Area:126
Heavy Atom Count:28
Complexity:650
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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