ChemSpider 2D Image | 1-(2-Bromophenyl)-N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methylmethanamine | C17H15BrClN3O

1-(2-Bromophenyl)-N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methylmethanamine

  • Molecular FormulaC17H15BrClN3O
  • Average mass392.677 Da
  • Monoisotopic mass391.008698 Da
  • ChemSpider ID22042941

More details:

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

1-(2-Bromophenyl)-N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methylmethanamine [ACD/IUPAC Name]
1-(2-Bromophényl)-N-{[3-(4-chlorophényl)-1,2,4-oxadiazol-5-yl]méthyl}-N-méthylméthanamine [French] [ACD/IUPAC Name]
1-(2-Bromphenyl)-N-{[3-(4-chlorphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methylmethanamin [German] [ACD/IUPAC Name]
1,2,4-Oxadiazole-5-methanamine, N-[(2-bromophenyl)methyl]-3-(4-chlorophenyl)-N-methyl- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 478.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.3±3.0 kJ/mol
Flash Point: 243.3±31.5 °C
Index of Refraction: 1.617
Molar Refractivity: 94.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.89
ACD/LogD (pH 5.5): 4.71
ACD/BCF (pH 5.5): 2119.59
ACD/KOC (pH 5.5): 7877.50
ACD/LogD (pH 7.4): 4.80
ACD/BCF (pH 7.4): 2611.79
ACD/KOC (pH 7.4): 9706.77
Polar Surface Area: 42 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 52.0±3.0 dyne/cm
Molar Volume: 269.4±3.0 cm3

Click to predict properties on the Chemicalize site


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