ChemSpider 2D Image | Methyl (2E)-2-(2-{[(Z)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-(dimethylamino)vinyl]oxy}phenyl)-3-(dimethylamino)acrylate | C24H25BrN4O4

Methyl (2E)-2-(2-{[(Z)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-(dimethylamino)vinyl]oxy}phenyl)-3-(dimethylamino)acrylate

  • Molecular FormulaC24H25BrN4O4
  • Average mass513.384 Da
  • Monoisotopic mass512.105896 Da
  • ChemSpider ID21179005

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-(2-{[(Z)-1-[3-(4-Bromophényl)-1,2,4-oxadiazol-5-yl]-2-(diméthylamino)vinyl]oxy}phényl)-3-(diméthylamino)acrylate de méthyle [French] [ACD/IUPAC Name]
Benzeneacetic acid, 2-[[(Z)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-(dimethylamino)ethenyl]oxy]-α-[(dimethylamino)methylene]-, methyl ester, (αE)- [ACD/Index Name]
Methyl (2E)-2-(2-{[(Z)-1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-(dimethylamino)vinyl]oxy}phenyl)-3-(dimethylamino)acrylate [ACD/IUPAC Name]
Methyl-(2E)-2-(2-{[(Z)-1-[3-(4-bromphenyl)-1,2,4-oxadiazol-5-yl]-2-(dimethylamino)vinyl]oxy}phenyl)-3-(dimethylamino)acrylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 604.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.9±3.0 kJ/mol
Flash Point: 319.6±34.3 °C
Index of Refraction: 1.598
Molar Refractivity: 130.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.82
ACD/LogD (pH 5.5): 4.73
ACD/BCF (pH 5.5): 2219.40
ACD/KOC (pH 5.5): 8266.22
ACD/LogD (pH 7.4): 4.80
ACD/BCF (pH 7.4): 2594.13
ACD/KOC (pH 7.4): 9661.95
Polar Surface Area: 81 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 381.2±3.0 cm3

Click to predict properties on the Chemicalize site


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