ethyl 2-[[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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ethyl 2-[[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
structure -
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CAS No:
1082662-64-3
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Formula:
C23H27N3O3S2
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Chemical Name:
ethyl 2-[[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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Synonyms:
ZINC2153481;STL533133;AKOS030498357;1082662-64-3;ethyl 2-({[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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CAS No:
ethyl 2-[[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Basic Attributes
457.6 g/mol
457.14938408 g/mol
Computed Properties
Molecular Weight:457.6
XLogP3:4.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:457.14938408
Monoisotopic Mass:457.14938408
Topological Polar Surface Area:122
Heavy Atom Count:31
Complexity:829
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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