[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 4-(diethylamino)benzoate
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![[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 4-(diethylamino)benzoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/091c094d22634351a648e4887a4ce447.png "[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 4-(diethylamino)benzoate")
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 4-(diethylamino)benzoate
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CAS No:
571922-92-4
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Formula:
C23H27N3O3S
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Chemical Name:
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 4-(diethylamino)benzoate
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Synonyms:
ZINC3348901;AKOS033617457;MCULE-7543835360;AB00720416-01;Z18406333;({3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}carbamoyl)methyl 4-(diethylamino)benzoate;571922-92-4
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CAS No:
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 4-(diethylamino)benzoate Basic Attributes
425.5 g/mol
425.17731291 g/mol
Computed Properties
Molecular Weight:425.5
XLogP3:5.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:425.17731291
Monoisotopic Mass:425.17731291
Topological Polar Surface Area:111
Heavy Atom Count:30
Complexity:637
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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