Acetamide,N-[4-(2,3...

Acetamide,N-[4-(2,3-di-4-morpholinyl-1-oxo-3-phenylpropyl)phenyl]- 5394-69-4

Acetamide,N-[4-(2,3-di-4-morpholinyl-1-oxo-3-phenylpropyl)phenyl]- 5394-69-4

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1 Gram

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  • Purity: 99%
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Keywords

Acetamide,N-[4-(2,3-di-4-morpholinyl-1-oxo-3-phenylpropyl)phenyl]- Acetamide,N-[4-(2,3-di-4-morpholinyl-1-oxo-3-phenylpropyl)phenyl]- 5394-69-4

Quick Details

  • Appearance:Solid
  • Application:Organic Chemicals
  • PackAge:As requested
  • ProductionCapacity:100|Kilogram|Month
  • Storage:Room temperature
  • Transportation:as requested

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Details:

【Name】
Acetamide,N-[4-(2,3-di-4-morpholinyl-1-oxo-3-phenylpropyl)phenyl]-
【CAS Registry number】
5394-69-4
【Synonyms】
Acetanilide,4'-(a,b-dimorpholinohydrocinnamoyl)- (8CI)
NSC 368
【Molecular Formula】
C25H31 N3 O4 (Products with the same molecular formula)
【Molecular Weight】
437.5313
【Inchi】
InChI=1/C25H31N3O4/c1-19(29)26-22-9-7-21(8-10-22)25(30)24(28-13-17-32-18-14-28)23(20-5-3-2-4-6-20)27-11-15-31-16-12-27/h2-10,23-24H,11-18H2,1H3,(H,26,29)
【Canonical SMILES】
CC(=O)NC1=CC=C(C=C1)C(=O)C(C(C2=CC=CC=C2)N3CCOCC3)N4CCOCC4
Chemical and Physical Properties
【Density】
1.229g/cm3
【Boiling Point】
663.3°Cat760mmHg
【Refractive Index】
1.606
【Flash Point】
354.9°C
【Computed Properties】
Molecular Weight:437.53134 [g/mol]
Molecular Formula:C25H31N3O4
XLogP3-AA:1.7
H-Bond Donor:1
H-Bond Acceptor:6
Rotatable Bond Count:7
Tautomer Count:16
Exact Mass:437.231456
MonoIsotopic Mass:437.231456
Topological Polar Surface Area:71.1
Heavy Atom Count:32
Formal Charge:0
Complexity:604
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:4
Feature 3D Donor Count:1
Feature 3D Cation Count:2
Feature 3D Ring Count:4
Effective Rotor Count:10.4
Conformer Sampling RMSD:1
CID Conformer Count:219

 

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