[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate
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![[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/9d91f177195241c0a36d2980bc6ff534.png "[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate")
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate
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CAS No:
733006-08-1
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Formula:
C19H16ClFN2O3S
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Chemical Name:
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate
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Synonyms:
ZINC3312912;AKOS033704507;MCULE-4619491433;Z19748040;({3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}carbamoyl)methyl 2-chloro-6-fluorobenzoate;733006-08-1
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CAS No:
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate Basic Attributes
406.9 g/mol
406.0554194 g/mol
Computed Properties
Molecular Weight:406.9
XLogP3:5.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:406.0554194
Monoisotopic Mass:406.0554194
Topological Polar Surface Area:107
Heavy Atom Count:27
Complexity:613
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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