[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-chloro-4-fluorobenzoate
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![[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-chloro-4-fluorobenzoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/449d560f800941cfadb3e523574fc5d7.png "[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-chloro-4-fluorobenzoate")
[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-chloro-4-fluorobenzoate
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CAS No:
733021-26-6
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Formula:
C18H14ClFN2O3S
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Chemical Name:
[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-chloro-4-fluorobenzoate
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Synonyms:
ZINC3317986;AKOS002486465;MCULE-8711045965;AB00718024-01;Z18831055;[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]methyl 2-chloro-4-fluorobenzoate;733021-26-6
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CAS No:
[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2-chloro-4-fluorobenzoate Basic Attributes
392.8 g/mol
392.0397693 g/mol
Computed Properties
Molecular Weight:392.8
XLogP3:4.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:392.0397693
Monoisotopic Mass:392.0397693
Topological Polar Surface Area:107
Heavy Atom Count:26
Complexity:598
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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