ChemSpider 2D Image | (2Z)-3-(6-Bromo-2-pyridinyl)-2-cyano-N-[(1R)-1-phenylbutyl]acrylamide | C19H18BrN3O

(2Z)-3-(6-Bromo-2-pyridinyl)-2-cyano-N-[(1R)-1-phenylbutyl]acrylamide

  • Molecular FormulaC19H18BrN3O
  • Average mass384.270 Da
  • Monoisotopic mass383.063324 Da
  • ChemSpider ID82963387

  • 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

(2Z)-3-(6-Brom-2-pyridinyl)-2-cyan-N-[(1R)-1-phenylbutyl]acrylamid [German] [ACD/IUPAC Name]
(2Z)-3-(6-Bromo-2-pyridinyl)-2-cyano-N-[(1R)-1-phenylbutyl]acrylamide [ACD/IUPAC Name]
(2Z)-3-(6-Bromo-2-pyridinyl)-2-cyano-N-[(1R)-1-phénylbutyl]acrylamide [French] [ACD/IUPAC Name]
2-Propenamide, 3-(6-bromo-2-pyridinyl)-2-cyano-N-[(1R)-1-phenylbutyl]-, (2Z)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 582.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.0±3.0 kJ/mol
Flash Point: 305.9±30.1 °C
Index of Refraction: 1.617
Molar Refractivity: 99.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 3.63
ACD/BCF (pH 5.5): 339.90
ACD/KOC (pH 5.5): 2257.06
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 339.77
ACD/KOC (pH 7.4): 2256.25
Polar Surface Area: 66 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 282.9±3.0 cm3

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