[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-chloropyridine-3-carboxylate
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![[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-chloropyridine-3-carboxylate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/3a8fe34edc2b493297e60b02141dfdb1.png "[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-chloropyridine-3-carboxylate")
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-chloropyridine-3-carboxylate
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CAS No:
733025-18-8
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Formula:
C18H16ClN3O3S
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Chemical Name:
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-chloropyridine-3-carboxylate
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Synonyms:
ZINC3318533;AKOS033713328;MCULE-4580882752;Z19818021;({3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}carbamoyl)methyl 2-chloropyridine-3-carboxylate;733025-18-8
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CAS No:
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 2-chloropyridine-3-carboxylate Basic Attributes
389.9 g/mol
389.0600902 g/mol
Computed Properties
Molecular Weight:389.9
XLogP3:4.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:389.0600902
Monoisotopic Mass:389.0600902
Topological Polar Surface Area:120
Heavy Atom Count:26
Complexity:581
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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