ethyl 6-amino-8-(4-chlorophenyl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxylate
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ethyl 6-amino-8-(4-chlorophenyl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxylate
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CAS No:
434296-99-8
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Formula:
C21H21ClN2O2S
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Chemical Name:
ethyl 6-amino-8-(4-chlorophenyl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxylate
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Synonyms:
ethyl 3-amino-4-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxylate;Oprea1_315290;Oprea1_680053;ZINC2374738;STL336424;AKOS002113601;MCULE-3568165062;EU-0065972;SR-01000590817;SR-01000590817-1;434296-99-8
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CAS No:
ethyl 6-amino-8-(4-chlorophenyl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxylate Basic Attributes
400.9 g/mol
400.1012268 g/mol
Computed Properties
Molecular Weight:400.9
XLogP3:6.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:400.1012268
Monoisotopic Mass:400.1012268
Topological Polar Surface Area:93.4
Heavy Atom Count:27
Complexity:528
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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