[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 6-chloropyridine-3-carboxylate
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![[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 6-chloropyridine-3-carboxylate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/39c3131841294d2b9d14cbb96ccbecd9.png "[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 6-chloropyridine-3-carboxylate")
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 6-chloropyridine-3-carboxylate
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CAS No:
736953-50-7
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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] 6-chloropyridine-3-carboxylate
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Synonyms:
ZINC3246635;AKOS033613093;MCULE-3981924319;Z18369905;({3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}carbamoyl)methyl 6-chloropyridine-3-carboxylate;736953-50-7
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CAS No:
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 6-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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