ChemSpider 2D Image | (2E,4E)-5-(6-Bromo-2-pyridinyl)-2-cyano-N-[(1S)-1-phenylethyl]-2,4-pentadienamide | C19H16BrN3O

(2E,4E)-5-(6-Bromo-2-pyridinyl)-2-cyano-N-[(1S)-1-phenylethyl]-2,4-pentadienamide

  • Molecular FormulaC19H16BrN3O
  • Average mass382.254 Da
  • Monoisotopic mass381.047668 Da
  • ChemSpider ID81368295

  • 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

(2E,4E)-5-(6-Brom-2-pyridinyl)-2-cyan-N-[(1S)-1-phenylethyl]-2,4-pentadienamid [German] [ACD/IUPAC Name]
(2E,4E)-5-(6-Bromo-2-pyridinyl)-2-cyano-N-[(1S)-1-phenylethyl]-2,4-pentadienamide [ACD/IUPAC Name]
(2E,4E)-5-(6-Bromo-2-pyridinyl)-2-cyano-N-[(1S)-1-phényléthyl]-2,4-pentadiénamide [French] [ACD/IUPAC Name]
2,4-Pentadienamide, 5-(6-bromo-2-pyridinyl)-2-cyano-N-[(1S)-1-phenylethyl]-, (2E,4E)- [ACD/Index Name]
1204306-34-2 [RN]
MOL-4239

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

Density: 1.4±0.1 g/cm3
Boiling Point: 608.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.4±3.0 kJ/mol
Flash Point: 322.0±31.5 °C
Index of Refraction: 1.635
Molar Refractivity: 99.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.74
ACD/LogD (pH 5.5): 2.79
ACD/BCF (pH 5.5): 77.86
ACD/KOC (pH 5.5): 786.01
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 77.85
ACD/KOC (pH 7.4): 785.92
Polar Surface Area: 66 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 53.9±3.0 dyne/cm
Molar Volume: 276.5±3.0 cm3

Click to predict properties on the Chemicalize site


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