methyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
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methyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
structure -
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CAS No:
317325-75-0
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Formula:
C20H18ClNO3S2
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Chemical Name:
methyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
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Synonyms:
Oprea1_032525;Oprea1_351895;ZINC2361441;STK864681;AKOS000577155;MCULE-1094892601;ST50258952;SR-01000434353;SR-01000434353-1;2-[(3-Chloro-benzo[b]thiophene-2-carbonyl)-amino]-5,6,7,8-tetrahydro-4H-cyclohep;317325-75-0;methyl 2-[(3-chlorobenzo[b]thiophen-2-yl)carbonylamino]-4,5,6,7,8-pentahydrocy clohepta[2,1-b]thiophene-3-carboxylate;methyl 2-{[(3-chloro-1-benzothiophen-2-yl)carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
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CAS No:
methyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Basic Attributes
419.9 g/mol
419.0416635 g/mol
Computed Properties
Molecular Weight:419.9
XLogP3:6.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:419.0416635
Monoisotopic Mass:419.0416635
Topological Polar Surface Area:112
Heavy Atom Count:27
Complexity:577
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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