ChemSpider 2D Image | 4-{(1E)-3-[(2-{(3-{[(3-Bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxy]methyl}-2,4-dichlorophenyl)[(~2~H_3_)methyl]amino}-2-oxoethyl)amino]-3-oxo-1-propen-1-yl}-N,N-dimethylbenzamide | C30H25D3BrCl2N5O4

4-{(1E)-3-[(2-{(3-{[(3-Bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxy]methyl}-2,4-dichlorophenyl)[(2H3)methyl]amino}-2-oxoethyl)amino]-3-oxo-1-propen-1-yl}-N,N-dimethylbenzamide

  • Molecular FormulaC30H25D3BrCl2N5O4
  • Average mass676.403 Da
  • Monoisotopic mass674.088989 Da
  • ChemSpider ID128917619

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

4-{(1E)-3-[(2-{(3-{[(3-Brom-2-methylimidazo[1,2-a]pyridin-8-yl)oxy]methyl}-2,4-dichlorphenyl)[(2H3)methyl]amino}-2-oxoethyl)amino]-3-oxo-1-propen-1-yl}-N,N-dimethylbenzamid [German] [ACD/IUPAC Name]
4-{(1E)-3-[(2-{(3-{[(3-Bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxy]methyl}-2,4-dichlorophenyl)[(2H3)methyl]amino}-2-oxoethyl)amino]-3-oxo-1-propen-1-yl}-N,N-dimethylbenzamide [ACD/IUPAC Name]
4-{(1E)-3-[(2-{(3-{[(3-Bromo-2-méthylimidazo[1,2-a]pyridin-8-yl)oxy]méthyl}-2,4-dichlorophényl)[(2H3)méthyl]amino}-2-oxoéthyl)amino]-3-oxo-1-propén-1-yl}-N,N-diméthylbenzamide [French] [ACD/IUPAC Name]
Benzamide, 4-[(1E)-3-[[2-[[3-[[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxy]methyl]-2,4-dichlorophenyl]methyl-d3-amino]-2-oxoethyl]amino]-3-oxo-1-propen-1-yl]-N,N-dimethyl- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.639
Molar Refractivity: 168.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.17
ACD/LogD (pH 5.5): 4.00
ACD/BCF (pH 5.5): 633.67
ACD/KOC (pH 5.5): 3470.58
ACD/LogD (pH 7.4): 4.02
ACD/BCF (pH 7.4): 668.92
ACD/KOC (pH 7.4): 3663.68
Polar Surface Area: 96 Å2
Polarizability: 66.8±0.5 10-24cm3
Surface Tension: 49.6±7.0 dyne/cm
Molar Volume: 468.4±7.0 cm3

Click to predict properties on the Chemicalize site


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