[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
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[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
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CAS No:
561060-55-7
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Formula:
C22H20N2O4S
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Chemical Name:
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
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Synonyms:
ZINC2618464;AKOS033477358;MCULE-9520872697;Z16242658;({3-cyano-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl}carbamoyl)methyl 3-methyl-1-benzofuran-2-carboxylate;561060-55-7
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CAS No:
[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate Basic Attributes
408.5 g/mol
408.11437830 g/mol
Computed Properties
Molecular Weight:408.5
XLogP3:5.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:408.11437830
Monoisotopic Mass:408.11437830
Topological Polar Surface Area:121
Heavy Atom Count:29
Complexity:677
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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