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1,3-Diethyl 2-(acetylamino)-2-[[5-(phenylmethoxy)-1H-indol-3-yl]methyl]propanedioate

1,3-Diethyl 2-(acetylamino)-2-[[5-(phenylmethoxy)-1H-indol-3-yl]methyl]propanedioate structure

CAS No:
50469-23-3
Formula:
C25H28N2O6
Chemical Name:
1,3-Diethyl 2-(acetylamino)-2-[[5-(phenylmethoxy)-1H-indol-3-yl]methyl]propanedioate
Synonyms:
Propanedioic acid,2-(acetylamino)-2-[[5-(phenylmethoxy)-1H-indol-3-yl]methyl]-,1,3-diethyl ester;Propanedioic acid,(acetylamino)[[5-(phenylmethoxy)-1H-indol-3-yl]methyl]-,diethyl ester;Malonic acid,acetamido[[5-(benzyloxy)indol-3-yl]methyl]-,diethyl ester;1,3-Diethyl 2-(acetylamino)-2-[[5-(phenylmethoxy)-1H-indol-3-yl]methyl]propanedioate;NSC 17820

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1,3-Diethyl 2-(acetylamino)-2-[[5-(phenylmethoxy)-1H-indol-3-yl]methyl]propanedioate Basic Attributes

Molecular Weight：

452.50000

Exact Mass：

452.50

EC Number：

256-598-0

NSC Number：

17820

DSSTox ID：

DTXSID40198495

HScode：

2933990090

Characteristics

PSA：

106.72000

XLogP3：

3.68140

Density：

1.241g/cm3

Melting Point：

166-168 °C @ Solvent: Water, Ethanol

Boiling Point：

657.4ºC

Flash Point：

351.4ºC

Refractive Index：

1.592

Computed Properties

Molecular Weight:452.5
XLogP3:3.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:12
Exact Mass:452.19473662
Monoisotopic Mass:452.19473662
Topological Polar Surface Area:107
Heavy Atom Count:33
Complexity:660
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,3-Diethyl 2-(acetylamino)-2-[[5-(phenylmethoxy)-1H-indol-3-yl]methyl]propanedioate

Basic Attributes
Characteristics
Computed Properties
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