[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 4-(trifluoromethoxy)benzoate
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![[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 4-(trifluoromethoxy)benzoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/e957e49000434ee2b18193e16a8b517b.png "[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 4-(trifluoromethoxy)benzoate")
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 4-(trifluoromethoxy)benzoate
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CAS No:
729584-02-5
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Formula:
C20H17F3N2O4S
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Chemical Name:
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 4-(trifluoromethoxy)benzoate
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Synonyms:
ZINC3290903;AKOS033632309;MCULE-7330063747;AB00717170-01;Z18572331;({3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}carbamoyl)methyl 4-(trifluoromethoxy)benzoate;729584-02-5
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CAS No:
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 4-(trifluoromethoxy)benzoate Basic Attributes
438.4 g/mol
438.08611269 g/mol
Computed Properties
Molecular Weight:438.4
XLogP3:5.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:6
Exact Mass:438.08611269
Monoisotopic Mass:438.08611269
Topological Polar Surface Area:117
Heavy Atom Count:30
Complexity:673
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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