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ethyl 2-[4-[2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]phenoxy]acetate

ethyl 2-[4-[2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]phenoxy]acetate structure

CAS No:
5909-10-4
Formula:
C21H20N2O5
Chemical Name:
ethyl 2-[4-[2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]phenoxy]acetate
Synonyms:
7-amino-2-hexyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one; 7-Amino-2-hexyl-s-triazolotriazolo<1,5-a>-pyrimidin-5-on;

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ethyl 2-[4-[2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]phenoxy]acetate Basic Attributes

Molecular Weight：

380.39400

Exact Mass：

380.13722174

DSSTox ID：

DTXSID80386879

HScode：

2933990090

Characteristics

PSA：

97.65000

XLogP3：

3.25578

Density：

1.259g/cm3

Boiling Point：

608.1ºC

Flash Point：

321.5ºC

Refractive Index：

1.61

Computed Properties

Molecular Weight:380.4
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:380.13722174
Monoisotopic Mass:380.13722174
Topological Polar Surface Area:97.6
Heavy Atom Count:28
Complexity:593
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 2-[4-[2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]phenoxy]acetate

Basic Attributes
Characteristics
Computed Properties
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