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ethyl 4-[(2,2-diphenylacetyl)amino]-3-thia-1-azatricyclo[5.2.2.02,6]undeca-2(6),4-diene-5-carboxylate

ethyl 4-[(2,2-diphenylacetyl)amino]-3-thia-1-azatricyclo[5.2.2.02,6]undeca-2(6),4-diene-5-carboxylate structure

CAS No:
112302-59-7
Formula:
C26H26N2O3S
Chemical Name:
ethyl 4-[(2,2-diphenylacetyl)amino]-3-thia-1-azatricyclo[5.2.2.02,6]undeca-2(6),4-diene-5-carboxylate
Synonyms:
2-(Diphenylacetylamino)-3-ethoxycarbonylthieno(2,3-b)quinuclidine;112302-59-7;4H-4,7-Ethanothieno(2,3-b)pyridine-3-carboxylic acid, 5,6-dihydro-2-((diphenylacetyl)amino)-,ethyl ester;BRN 5778592;Oprea1_030487;CHEMBL1617775;DTXSID50149993;ZINC2867354;MCULE-8817858124;NCGC00245788-01;EU-0016381;ethyl 2-[(diphenylacetyl)amino]-5,6-dihydro-4H-4,7-ethanothieno[2,3-b]pyridine-3-carboxylate;ethyl 4-[(2,2-diphenylacetyl)amino]-3-thia-1-azatricyclo[5.2.2.02,6]undeca-2(6),4-diene-5-carboxylate

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ethyl 4-[(2,2-diphenylacetyl)amino]-3-thia-1-azatricyclo[5.2.2.02,6]undeca-2(6),4-diene-5-carboxylate Basic Attributes

Molecular Weight：

446.6 g/mol

Exact Mass：

446.16641387 g/mol

DSSTox ID：

DTXSID50149993

Characteristics

PSA：

86.9 Å²

Computed Properties

Molecular Weight:446.6
XLogP3:5.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:446.16641387
Monoisotopic Mass:446.16641387
Topological Polar Surface Area:86.9
Heavy Atom Count:32
Complexity:650
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 4-[(2,2-diphenylacetyl)amino]-3-thia-1-azatricyclo[5.2.2.02,6]undeca-2(6),4-diene-5-carboxylate

Basic Attributes
Characteristics
Computed Properties
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