ChemSpider 2D Image | (2Z)-3-{3-Methoxy-4-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl}-2-[5-(4-morpholinyl)-4-phenyl-4H-1,2,4-triazol-3-yl]acrylonitrile | C31H29N5O5

(2Z)-3-{3-Methoxy-4-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl}-2-[5-(4-morpholinyl)-4-phenyl-4H-1,2,4-triazol-3-yl]acrylonitrile

  • Molecular FormulaC31H29N5O5
  • Average mass551.593 Da
  • Monoisotopic mass551.216858 Da
  • ChemSpider ID34433500

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-3-{3-Methoxy-4-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl}-2-[5-(4-morpholinyl)-4-phenyl-4H-1,2,4-triazol-3-yl]acrylonitril [German] [ACD/IUPAC Name]
(2Z)-3-{3-Methoxy-4-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl}-2-[5-(4-morpholinyl)-4-phenyl-4H-1,2,4-triazol-3-yl]acrylonitrile [ACD/IUPAC Name]
(2Z)-3-{3-Méthoxy-4-[2-(4-méthoxyphényl)-2-oxoéthoxy]phényl}-2-[5-(4-morpholinyl)-4-phényl-4H-1,2,4-triazol-3-yl]acrylonitrile [French] [ACD/IUPAC Name]
4H-1,2,4-Triazole-3-acetonitrile, α-[[3-methoxy-4-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]methylene]-5-(4-morpholinyl)-4-phenyl-, (αZ)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 803.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 116.8±3.0 kJ/mol
Flash Point: 439.8±37.1 °C
Index of Refraction: 1.625
Molar Refractivity: 154.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 4.30
ACD/BCF (pH 5.5): 1080.36
ACD/KOC (pH 5.5): 5142.12
ACD/LogD (pH 7.4): 4.30
ACD/BCF (pH 7.4): 1096.77
ACD/KOC (pH 7.4): 5220.24
Polar Surface Area: 112 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 49.4±7.0 dyne/cm
Molar Volume: 437.5±7.0 cm3

Click to predict properties on the Chemicalize site


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