[2-oxo-2-[(3-propan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]ethyl] pyridine-4-carboxylate
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[2-oxo-2-[(3-propan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]ethyl] pyridine-4-carboxylate
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CAS No:
796066-27-8
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Formula:
C20H22N2O5S
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Chemical Name:
[2-oxo-2-[(3-propan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]ethyl] pyridine-4-carboxylate
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Synonyms:
ZINC3338360;AKOS033699988;MCULE-6857092555;Z19683768;({3-[(propan-2-yloxy)carbonyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}carbamoyl)methyl pyridine-4-carboxylate;796066-27-8
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CAS No:
[2-oxo-2-[(3-propan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]ethyl] pyridine-4-carboxylate Basic Attributes
402.5 g/mol
402.12494298 g/mol
Computed Properties
Molecular Weight:402.5
XLogP3:4.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:402.12494298
Monoisotopic Mass:402.12494298
Topological Polar Surface Area:123
Heavy Atom Count:28
Complexity:579
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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