N-[(E)-3-(azepan-1-yl)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
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N-[(E)-3-(azepan-1-yl)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
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CAS No:
332114-99-5
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Formula:
C20H21BrN2O2S
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Chemical Name:
N-[(E)-3-(azepan-1-yl)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
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Synonyms:
ZINC851218;AKOS000659761;ST50246974;N-{2-azaperhydroepinyl-1-[(4-bromophenyl)methylene]-2-oxoethyl}-2-thienylcarbo xamide;332114-99-5
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CAS No:
N-[(E)-3-(azepan-1-yl)-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide Basic Attributes
433.4 g/mol
432.05071 g/mol
Computed Properties
Molecular Weight:433.4
XLogP3:4.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:432.05071
Monoisotopic Mass:432.05071
Topological Polar Surface Area:77.6
Heavy Atom Count:26
Complexity:524
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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