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ethyl 4-[3-[2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoate

ethyl 4-[3-[2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoate structure

CAS No:
5861-88-1
Formula:
C26H25N3O4
Chemical Name:
ethyl 4-[3-[2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoate
Synonyms:
ethyl 4-(3-{(1E)-2-cyano-3-[(4-methoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate; ethyl 4-(3-{(1Z)-2-cyano-3-[(4-methoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate; ETHYL 4-[3-[(E)-2-CYANO-2-[(4-METHOXYPHENYL)CARBAMOYL]VINYL]-2,5-DIMETHYL-PYRROL-1-YL]BENZOATE;

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ethyl 4-[3-[2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoate Basic Attributes

Molecular Weight：

443.49400

Exact Mass：

443.18450629

DSSTox ID：

DTXSID20386818

Characteristics

PSA：

93.35000

XLogP3：

4.89808

Density：

1.16g/cm3

Boiling Point：

664.7ºC

Flash Point：

355.8ºC

Refractive Index：

1.582

Computed Properties

Molecular Weight:443.5
XLogP3:5.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:443.18450629
Monoisotopic Mass:443.18450629
Topological Polar Surface Area:93.4
Heavy Atom Count:33
Complexity:757
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 4-[3-[2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoate

Basic Attributes
Characteristics
Computed Properties
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