ChemSpider 2D Image | (5E)-4-Methyl-1-(4-methylbenzyl)-5-({3-[3-methyl-4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylene)-2,6-dioxo-1,2,5,6-tetrahydro-3-pyridinecarbonitrile | C37H36N4O3

(5E)-4-Methyl-1-(4-methylbenzyl)-5-({3-[3-methyl-4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylene)-2,6-dioxo-1,2,5,6-tetrahydro-3-pyridinecarbonitrile

  • Molecular FormulaC37H36N4O3
  • Average mass584.707 Da
  • Monoisotopic mass584.278748 Da
  • ChemSpider ID12000640

  • Double-bond stereo - Double-bond stereo

More details:

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

(5E)-4-Methyl-1-(4-methylbenzyl)-5-({3-[3-methyl-4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylen)-2,6-dioxo-1,2,5,6-tetrahydro-3-pyridincarbonitril [German] [ACD/IUPAC Name]
(5E)-4-Methyl-1-(4-methylbenzyl)-5-({3-[3-methyl-4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylene)-2,6-dioxo-1,2,5,6-tetrahydro-3-pyridinecarbonitrile [ACD/IUPAC Name]
(5E)-4-Méthyl-1-(4-méthylbenzyl)-5-({3-[3-méthyl-4-(3-méthylbutoxy)phényl]-1-phényl-1H-pyrazol-4-yl}méthylène)-2,6-dioxo-1,2,5,6-tétrahydro-3-pyridinecarbonitrile [French] [ACD/IUPAC Name]
(5E)-4-Methyl-1-(4-methylbenzyl)-5-({3-[3-methyl-4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylene)-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
3-Pyridinecarbonitrile, 1,2,5,6-tetrahydro-4-methyl-5-[[3-[3-methyl-4-(3-methylbutoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl]methylene]-1-[(4-methylphenyl)methyl]-2,6-dioxo-, (5E)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 734.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.1±3.0 kJ/mol
Flash Point: 397.8±32.9 °C
Index of Refraction: 1.612
Molar Refractivity: 175.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 8.90
ACD/LogD (pH 5.5): 7.12
ACD/BCF (pH 5.5): 151441.17
ACD/KOC (pH 5.5): 177662.45
ACD/LogD (pH 7.4): 7.12
ACD/BCF (pH 7.4): 151441.17
ACD/KOC (pH 7.4): 177662.45
Polar Surface Area: 88 Å2
Polarizability: 69.5±0.5 10-24cm3
Surface Tension: 43.8±7.0 dyne/cm
Molar Volume: 504.3±7.0 cm3

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