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3-[[3,5-bis(trifluoroMethyl)phenyl]aMino]-4-[[(2S)-2-pyrrolidinylMethyl]aMino]-3-Cyclobutene-1,2-dione

3-[[3,5-bis(trifluoroMethyl)phenyl]aMino]-4-[[(2S)-2-pyrrolidinylMethyl]aMino]-3-Cyclobutene-1,2-dione structure

CAS No:
1356935-80-2
Formula:
C17H15F6N3O2
Chemical Name:
3-[[3,5-bis(trifluoroMethyl)phenyl]aMino]-4-[[(2S)-2-pyrrolidinylMethyl]aMino]-3-Cyclobutene-1,2-dione
Synonyms:
1356935-80-2;1-(2-Pyrrolidinylmethylamino)-2-(3,5-di(trifluoromethyl)phenylamino)-1-cyclobutene-3,4-dione;3-[[3,5-bis(trifluoroMethyl)phenyl]aMino]-4-[[(2S)-2-pyrrolidinylMethyl]aMino]-3-Cyclobutene-1,2-dione

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3-[[3,5-bis(trifluoroMethyl)phenyl]aMino]-4-[[(2S)-2-pyrrolidinylMethyl]aMino]-3-Cyclobutene-1,2-dione Basic Attributes

Molecular Weight：

407.3103192

Exact Mass：

407.107

Characteristics

PSA：

70.2

XLogP3：

3.4

Density：

1.49±0.1 g/cm3(Predicted)

Boiling Point：

406.5±55.0 °C(Predicted)

Computed Properties

Molecular Weight:407.31
XLogP3:3.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:5
Exact Mass:407.10684570
Monoisotopic Mass:407.10684570
Topological Polar Surface Area:70.2
Heavy Atom Count:28
Complexity:651
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-[[3,5-bis(trifluoroMethyl)phenyl]aMino]-4-[[(2S)-2-pyrrolidinylMethyl]aMino]-3-Cyclobutene-1,2-dione

Basic Attributes
Characteristics
Computed Properties

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