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ethyl 5-cyano-6-[4-(phenylcarbamoyl)piperazin-1-yl]-2-(trifluoromethyl)pyridine-3-carboxylate

ethyl 5-cyano-6-[4-(phenylcarbamoyl)piperazin-1-yl]-2-(trifluoromethyl)pyridine-3-carboxylate structure

CAS No:
4786-97-4
Formula:
C21H20F3N5O3
Chemical Name:
ethyl 5-cyano-6-[4-(phenylcarbamoyl)piperazin-1-yl]-2-(trifluoromethyl)pyridine-3-carboxylate

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ethyl 5-cyano-6-[4-(phenylcarbamoyl)piperazin-1-yl]-2-(trifluoromethyl)pyridine-3-carboxylate Basic Attributes

Molecular Weight：

447.41000

Exact Mass：

447.15182400

DSSTox ID：

DTXSID20372615

Characteristics

PSA：

102.05000

XLogP3：

3.51938

Density：

1.41g/cm3

Boiling Point：

663.1ºC

Flash Point：

354.8ºC

Refractive Index：

1.595

Computed Properties

Molecular Weight:447.4
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:5
Exact Mass:447.15182400
Monoisotopic Mass:447.15182400
Topological Polar Surface Area:98.6
Heavy Atom Count:32
Complexity:711
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 5-cyano-6-[4-(phenylcarbamoyl)piperazin-1-yl]-2-(trifluoromethyl)pyridine-3-carboxylate

Basic Attributes
Characteristics
Computed Properties
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