butyl 4-[5-[(E)-3-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate
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butyl 4-[5-[(E)-3-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate
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CAS No:
501108-75-4
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Formula:
C29H24ClN3O4S
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Chemical Name:
butyl 4-[5-[(E)-3-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate
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Synonyms:
AKOS001042062;ZINC100878781;butyl 4-[5-[(E)-3-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate;ST50079785;501108-75-4;butyl 4-{5-[(1E)-2-(N-{5-[(2-chlorophenyl)methyl](1,3-thiazol-2-yl)}carbamoyl) -2-cyanovinyl]-2-furyl}benzoate;Butyl 4-{5-[(1E)-2-(N-{5-[(2-chlorophenyl)methyl](1,3-thiazol-2-yl)}carbamoyl)-2-cyanovinyl]-2-furyl}benzoate
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CAS No:
butyl 4-[5-[(E)-3-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate Basic Attributes
546.0 g/mol
545.1176051 g/mol
Computed Properties
Molecular Weight:546.0
XLogP3:7.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:11
Exact Mass:545.1176051
Monoisotopic Mass:545.1176051
Topological Polar Surface Area:134
Heavy Atom Count:38
Complexity:884
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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