Found 1 result

Search term: TWWMJINRMNPUGZ-ZPKNHPDFSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | Methyl (3S)-2-oxo-4-phenyl-3-({4-[(E)-phenyldiazenyl]benzoyl}amino)butanoate | C24H21N3O4

Methyl (3S)-2-oxo-4-phenyl-3-({4-[(E)-phenyldiazenyl]benzoyl}amino)butanoate

  • Molecular FormulaC24H21N3O4
  • Average mass415.441 Da
  • Monoisotopic mass415.153198 Da
  • ChemSpider ID23170396

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3S)-2-Oxo-4-phényl-3-({4-[(E)-phényldiazényl]benzoyl}amino)butanoate de méthyle [French] [ACD/IUPAC Name]
Benzenebutanoic acid, α-oxo-β-[[4-[(E)-2-phenyldiazenyl]benzoyl]amino]-, methyl ester, (βS)- [ACD/Index Name]
Methyl (3S)-2-oxo-4-phenyl-3-({4-[(E)-phenyldiazenyl]benzoyl}amino)butanoate [ACD/IUPAC Name]
Methyl-(3S)-2-oxo-4-phenyl-3-({4-[(E)-phenyldiazenyl]benzoyl}amino)butanoat [German] [ACD/IUPAC Name]
(S)-2-Oxo-4-phenyl-3-(4-phenylazo-benzoylamino)-butyric acid methyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL312679/

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 638.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.4±3.0 kJ/mol
Flash Point: 340.2±31.5 °C
Index of Refraction: 1.603
Molar Refractivity: 118.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.37
ACD/LogD (pH 5.5): 4.58
ACD/BCF (pH 5.5): 1777.15
ACD/KOC (pH 5.5): 7374.81
ACD/LogD (pH 7.4): 4.58
ACD/BCF (pH 7.4): 1777.11
ACD/KOC (pH 7.4): 7374.63
Polar Surface Area: 97 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 47.4±7.0 dyne/cm
Molar Volume: 344.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement