ChemSpider 2D Image | (5Z)-5-({3-[(2S)-2,7-Dimethyl-2,3-dihydro-1-benzofuran-5-yl]-1-phenyl-1H-pyrazol-4-yl}methylene)-4-methyl-2,6-dioxo-1-pentyl-1,2,5,6-tetrahydro-3-pyridinecarbonitrile | C32H32N4O3

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

  • Molecular FormulaC32H32N4O3
  • Average mass520.622 Da
  • Monoisotopic mass520.247437 Da
  • ChemSpider ID62585403

  • 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

(5Z)-5-({3-[(2S)-2,7-Dimethyl-2,3-dihydro-1-benzofuran-5-yl]-1-phenyl-1H-pyrazol-4-yl}methylen)-4-methyl-2,6-dioxo-1-pentyl-1,2,5,6-tetrahydro-3-pyridincarbonitril [German] [ACD/IUPAC Name]
(5Z)-5-({3-[(2S)-2,7-Dimethyl-2,3-dihydro-1-benzofuran-5-yl]-1-phenyl-1H-pyrazol-4-yl}methylene)-4-methyl-2,6-dioxo-1-pentyl-1,2,5,6-tetrahydro-3-pyridinecarbonitrile [ACD/IUPAC Name]
(5Z)-5-({3-[(2S)-2,7-Diméthyl-2,3-dihydro-1-benzofuran-5-yl]-1-phényl-1H-pyrazol-4-yl}méthylène)-4-méthyl-2,6-dioxo-1-pentyl-1,2,5,6-tétrahydro-3-pyridinecarbonitrile [French] [ACD/IUPAC Name]
3-Pyridinecarbonitrile, 5-[[3-[(2S)-2,3-dihydro-2,7-dimethyl-5-benzofuranyl]-1-phenyl-1H-pyrazol-4-yl]methylene]-1,2,5,6-tetrahydro-4-methyl-2,6-dioxo-1-pentyl-, (5Z)- [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: 676.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.3±3.0 kJ/mol
Flash Point: 362.9±31.5 °C
Index of Refraction: 1.637
Molar Refractivity: 152.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.43
ACD/LogD (pH 5.5): 6.45
ACD/BCF (pH 5.5): 47230.29
ACD/KOC (pH 5.5): 77159.55
ACD/LogD (pH 7.4): 6.45
ACD/BCF (pH 7.4): 47230.29
ACD/KOC (pH 7.4): 77159.55
Polar Surface Area: 88 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 46.8±7.0 dyne/cm
Molar Volume: 425.0±7.0 cm3

Click to predict properties on the Chemicalize site


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