 Home > Encyclopedia > 1-[4-[4-(2,4-DI-TERT-PENTYLPHENOXY)-BUTYRAMIDO]-PHENYL]3-PYRROLIDINO-4-(1-PHENYL-TETRAZOL-5-YL)-THIO-PYRAZOLIN-5-ONE

1-[4-[4-(2,4-DI-TERT-PENTYLPHENOXY)-BUTYRAMIDO]-PHENYL]3-PYRROLIDINO-4-(1-PHENYL-TETRAZOL-5-YL)-THIO-PYRAZOLIN-5-ONE

1-[4-[4-(2,4-DI-TERT-PENTYLPHENOXY)-BUTYRAMIDO]-PHENYL]3-PYRROLIDINO-4-(1-PHENYL-TETRAZOL-5-YL)-THIO-PYRAZOLIN-5-ONE structure

CAS No:
107047-27-8
Formula:
C40H50N8O3
Chemical Name:
1-[4-[4-(2,4-DI-TERT-PENTYLPHENOXY)-BUTYRAMIDO]-PHENYL]3-PYRROLIDINO-4-(1-PHENYL-TETRAZOL-5-YL)-THIO-PYRAZOLIN-5-ONE
Synonyms:
DTXSID30394368;AKOS024420902;MCULE-7129727757;DIHYDROOXOPHENYLTETRAZOLYLTHIOPYRROLIDINO-PYRAZOL-PH-DI-T-PEN-PHO-BUTYRAM;4-[2,4-Bis(2-methylbutan-2-yl)phenoxy]-N-(4-{5-oxo-4-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]-3-(pyrrolidin-1-yl)-4,5-dihydro-1H-pyrazol-1-yl}phenyl)butanamide;N-[4-[4,5-Dihydro-5-oxo-4-(1-phenyl-1H-tetrazol-5-ylthio)-3-pyrrolidino-1H-pyrazol-1-yl]phenyl]-4-(2,4-di-tert-pentylphenoxy)butyramide

Request for Quotation

1-[4-[4-(2,4-DI-TERT-PENTYLPHENOXY)-BUTYRAMIDO]-PHENYL]3-PYRROLIDINO-4-(1-PHENYL-TETRAZOL-5-YL)-THIO-PYRAZOLIN-5-ONE Basic Attributes

Molecular Weight：

690.88

Exact Mass：

722.373

DSSTox ID：

DTXSID30394368

Characteristics

PSA：

143

XLogP3：

Density：

1.24±0.1 g/cm3(Predicted)

Melting Point：

136-140 °C(Solv: methanol (67-56-1))

Refractive Index：

1.641

Computed Properties

Molecular Weight:722.9
XLogP3:9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:15
Exact Mass:722.37265866
Monoisotopic Mass:722.37265866
Topological Polar Surface Area:143
Heavy Atom Count:52
Complexity:1210
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-[4-[4-(2,4-DI-TERT-PENTYLPHENOXY)-BUTYRAMIDO]-PHENYL]3-PYRROLIDINO-4-(1-PHENYL-TETRAZOL-5-YL)-THIO-PYRAZOLIN-5-ONE

Basic Attributes
Characteristics
Computed Properties

1-[4-[4-(2,4-DI-TERT-PENTYLPHENOXY)-BUTYRAMIDO]-PHENYL]3-PYRROLIDINO-4-(1-PHENYL-TETRAZOL-5-YL)-THIO-PYRAZOLIN-5-ONE

SDS

Request for Quotation

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