ChemSpider 2D Image | N-[(E)-{1-[2-(4-Bromophenoxy)ethyl]-1H-indol-3-yl}methylene]-4H-1,2,4-triazol-3-amine | C19H16BrN5O

N-[(E)-{1-[2-(4-Bromophenoxy)ethyl]-1H-indol-3-yl}methylene]-4H-1,2,4-triazol-3-amine

  • Molecular FormulaC19H16BrN5O
  • Average mass410.267 Da
  • Monoisotopic mass409.053802 Da
  • ChemSpider ID21863071

  • Double-bond stereo - Double-bond stereo

More details:

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

(E)-1-{1-[2-(4-Bromophenoxy)ethyl]-1H-indol-3-yl}-N-(1H-1,2,4-triazol-3-yl)methanimine [ACD/IUPAC Name]
(E)-1-{1-[2-(4-Bromophénoxy)éthyl]-1H-indol-3-yl}-N-(1H-1,2,4-triazol-3-yl)méthanimine [French] [ACD/IUPAC Name]
(E)-1-{1-[2-(4-Bromphenoxy)ethyl]-1H-indol-3-yl}-N-(1H-1,2,4-triazol-3-yl)methanimin [German] [ACD/IUPAC Name]
4H-1,2,4-Triazol-3-amine, N-[(1E)-[1-[2-(4-bromophenoxy)ethyl]-1H-indol-3-yl]methylene]- [ACD/Index Name]
N-[(E)-{1-[2-(4-Bromophenoxy)ethyl]-1H-indol-3-yl}methylene]-4H-1,2,4-triazol-3-amine
(E)-1-{1-[2-(4-bromophenoxy)ethyl]indol-3-yl}-N-(1H-1,2,4-triazol-3-yl)methanimine
{1-[2-(4-Bromo-phenoxy)-ethyl]-1H-indol-3-ylmethylene}-(4H-[1,2,4]triazol-3-yl)-amine
1-[1-[2-(4-BROMOPHENOXY)ETHYL]INDOL-3-YL]-N-(4H-1,2,4-TRIAZOL-3-YL)METHANIMINE
N-[(E)-{1-[2-(4-bromophenoxy)ethyl]-1H-indol-3-yl}methylidene]-4H-1,2,4-triazol-3-amine

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

Density: 1.5±0.1 g/cm3
Boiling Point: 645.9±63.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.3±3.0 kJ/mol
Flash Point: 344.4±33.7 °C
Index of Refraction: 1.696
Molar Refractivity: 105.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.53
ACD/LogD (pH 5.5): 3.89
ACD/BCF (pH 5.5): 528.82
ACD/KOC (pH 5.5): 3060.69
ACD/LogD (pH 7.4): 3.91
ACD/BCF (pH 7.4): 550.67
ACD/KOC (pH 7.4): 3187.14
Polar Surface Area: 68 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 55.3±7.0 dyne/cm
Molar Volume: 273.0±7.0 cm3

Click to predict properties on the Chemicalize site


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