ChemSpider 2D Image | (5E)-5-{[3-(2,7-Dimethyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenyl-1H-pyrazol-4-yl]methylene}-1-(3-hydroxypropyl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydro-3-pyridinecarbonitrile | C30H28N4O4

(5E)-5-{[3-(2,7-Dimethyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenyl-1H-pyrazol-4-yl]methylene}-1-(3-hydroxypropyl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydro-3-pyridinecarbonitrile

  • Molecular FormulaC30H28N4O4
  • Average mass508.568 Da
  • Monoisotopic mass508.211060 Da
  • ChemSpider ID12281382

  • Double-bond stereo - Double-bond stereo

More details:

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

(5E)-5-{[3-(2,7-Dimethyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenyl-1H-pyrazol-4-yl]methylen}-1-(3-hydroxypropyl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydro-3-pyridincarbonitril [German] [ACD/IUPAC Name]
(5E)-5-{[3-(2,7-Dimethyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenyl-1H-pyrazol-4-yl]methylene}-1-(3-hydroxypropyl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydro-3-pyridinecarbonitrile [ACD/IUPAC Name]
(5E)-5-{[3-(2,7-Diméthyl-2,3-dihydro-1-benzofuran-5-yl)-1-phényl-1H-pyrazol-4-yl]méthylène}-1-(3-hydroxypropyl)-4-méthyl-2,6-dioxo-1,2,5,6-tétrahydro-3-pyridinecarbonitrile [French] [ACD/IUPAC Name]
(5E)-5-{[3-(2,7-Dimethyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenyl-1H-pyrazol-4-yl]methylene}-1-(3-hydroxypropyl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
3-Pyridinecarbonitrile, 5-[[3-(2,3-dihydro-2,7-dimethyl-5-benzofuranyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-1,2,5,6-tetrahydro-1-(3-hydroxypropyl)-4-methyl-2,6-dioxo-, (5E)- [ACD/Index Name]
(5E)-5-[[3-(2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenylpyrazol-4-yl]methylidene]-1-(3-hydroxypropyl)-4-methyl-2,6-dioxopyridine-3-carbonitrile
(5E)-5-{[3-(2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-1-(3-hydroxypropyl)-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
5-{[3-(2,7-dimethyl(2,3-dihydrobenzo[b]furan-5-yl))-1-phenylpyrazol-4-yl]methylene}-1-(3-hydroxypropyl)-4-methyl-2,6-dioxohydropyridine-3-carbonitrile
956948-22-4 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 709.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.0±3.0 kJ/mol
Flash Point: 383.1±32.9 °C
Index of Refraction: 1.660
Molar Refractivity: 144.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.68
ACD/LogD (pH 5.5): 3.75
ACD/BCF (pH 5.5): 419.12
ACD/KOC (pH 5.5): 2622.26
ACD/LogD (pH 7.4): 3.75
ACD/BCF (pH 7.4): 419.12
ACD/KOC (pH 7.4): 2622.26
Polar Surface Area: 108 Å2
Polarizability: 57.2±0.5 10-24cm3
Surface Tension: 51.5±7.0 dyne/cm
Molar Volume: 391.1±7.0 cm3

Click to predict properties on the Chemicalize site


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