[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] quinoline-2-carboxylate
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[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] quinoline-2-carboxylate
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CAS No:
571940-79-9
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Formula:
C22H19N3O3S
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Chemical Name:
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] quinoline-2-carboxylate
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Synonyms:
ZINC2627154;AKOS033702415;MCULE-2564811429;Z19716002;({3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}carbamoyl)methyl quinoline-2-carboxylate;571940-79-9
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CAS No:
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] quinoline-2-carboxylate Basic Attributes
405.5 g/mol
405.11471265 g/mol
Computed Properties
Molecular Weight:405.5
XLogP3:5.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:405.11471265
Monoisotopic Mass:405.11471265
Topological Polar Surface Area:120
Heavy Atom Count:29
Complexity:663
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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