ethyl 2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-3,3,3-trifluoro-2-{[3-(trifluoromethyl)benzoyl]amino}propanoate
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ethyl 2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-3,3,3-trifluoro-2-{[3-(trifluoromethyl)benzoyl]amino}propanoate
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CAS No:
352317-28-3
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Formula:
C23H21F6N3O3S
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Chemical Name:
ethyl 2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-3,3,3-trifluoro-2-{[3-(trifluoromethyl)benzoyl]amino}propanoate
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Synonyms:
AG-389/14049021;C23H21F6N3O3S;STK763200;AKOS003319763;MCULE-7629539361;SR-01000530535;SR-01000530535-1;ethyl 2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-3,3,3-trifluoro-2-{[3-(trifluoromethyl)benzoyl]amino}propanoate;ethyl N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3,3,3-trifluoro-2-({[3-(trifluoromethyl)phenyl]carbonyl}amino)alaninate
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CAS No:
ethyl 2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-3,3,3-trifluoro-2-{[3-(trifluoromethyl)benzoyl]amino}propanoate Basic Attributes
533.4865592
533.121
Computed Properties
Molecular Weight:533.5
XLogP3:7.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:7
Exact Mass:533.12078169
Monoisotopic Mass:533.12078169
Topological Polar Surface Area:120
Heavy Atom Count:36
Complexity:860
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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