Found 135 results

Search term: MF = 'C_{30}H_{27}BrN_{4}O_{3}'
ChemSpider 2D Image | (5E)-5-{[3-(3-Bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-1-cyclohexyl-4-methyl-2,6-dioxo-1,2,5,6-tetrahydro-3-pyridinecarbonitrile | C30H27BrN4O3

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

  • Molecular FormulaC30H27BrN4O3
  • Average mass571.464 Da
  • Monoisotopic mass570.126648 Da
  • ChemSpider ID12000319

  • Double-bond stereo - Double-bond stereo

More details:

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

(5E)-5-{[3-(3-Brom-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylen}-1-cyclohexyl-4-methyl-2,6-dioxo-1,2,5,6-tetrahydro-3-pyridincarbonitril [German] [ACD/IUPAC Name]
(5E)-5-{[3-(3-Bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-1-cyclohexyl-4-methyl-2,6-dioxo-1,2,5,6-tetrahydro-3-pyridinecarbonitrile [ACD/IUPAC Name]
(5E)-5-{[3-(3-Bromo-4-méthoxyphényl)-1-phényl-1H-pyrazol-4-yl]méthylène}-1-cyclohexyl-4-méthyl-2,6-dioxo-1,2,5,6-tétrahydro-3-pyridinecarbonitrile [French] [ACD/IUPAC Name]
(5E)-5-{[3-(3-Bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-1-cyclohexyl-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
3-Pyridinecarbonitrile, 5-[[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-1-cyclohexyl-1,2,5,6-tetrahydro-4-methyl-2,6-dioxo-, (5E)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 696.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.9±3.0 kJ/mol
Flash Point: 374.8±31.5 °C
Index of Refraction: 1.665
Molar Refractivity: 151.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.88
ACD/LogD (pH 5.5): 5.93
ACD/BCF (pH 5.5): 18854.31
ACD/KOC (pH 5.5): 39987.65
ACD/LogD (pH 7.4): 5.93
ACD/BCF (pH 7.4): 18854.31
ACD/KOC (pH 7.4): 39987.65
Polar Surface Area: 88 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 51.9±7.0 dyne/cm
Molar Volume: 407.2±7.0 cm3

Click to predict properties on the Chemicalize site


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