[4-[(E)-2-cyano-3-(2-methylanilino)-3-oxoprop-1-enyl]phenyl] 4-methoxybenzoate
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[4-[(E)-2-cyano-3-(2-methylanilino)-3-oxoprop-1-enyl]phenyl] 4-methoxybenzoate
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CAS No:
358980-79-7
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Formula:
C25H20N2O4
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Chemical Name:
[4-[(E)-2-cyano-3-(2-methylanilino)-3-oxoprop-1-enyl]phenyl] 4-methoxybenzoate
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Synonyms:
4-{(1E)-2-cyano-3-[(2-methylphenyl)amino]-3-oxoprop-1-en-1-yl}phenyl 4-methoxybenzoate;ZINC1439433;STK522851;AKOS001009584;MCULE-4539806118;[4-[(E)-2-cyano-3-(2-methylanilino)-3-oxoprop-1-enyl]phenyl] 4-methoxybenzoate;358980-79-7
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CAS No:
[4-[(E)-2-cyano-3-(2-methylanilino)-3-oxoprop-1-enyl]phenyl] 4-methoxybenzoate Basic Attributes
412.4 g/mol
412.14230712 g/mol
Computed Properties
Molecular Weight:412.4
XLogP3:5.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:412.14230712
Monoisotopic Mass:412.14230712
Topological Polar Surface Area:88.4
Heavy Atom Count:31
Complexity:694
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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