ChemSpider 2D Image | N-Benzyl-N-{[3-bromo-1-(phenylsulfonyl)-1H-indol-2-yl]methyl}-4-methylaniline | C29H25BrN2O2S

N-Benzyl-N-{[3-bromo-1-(phenylsulfonyl)-1H-indol-2-yl]methyl}-4-methylaniline

  • Molecular FormulaC29H25BrN2O2S
  • Average mass545.490 Da
  • Monoisotopic mass544.082031 Da
  • ChemSpider ID4407490

More details:

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

1H-Indole-2-methanamine, 3-bromo-N-(4-methylphenyl)-N-(phenylmethyl)-1-(phenylsulfonyl)- [ACD/Index Name]
N-Benzyl-N-{[3-brom-1-(phenylsulfonyl)-1H-indol-2-yl]methyl}-4-methylanilin [German] [ACD/IUPAC Name]
N-Benzyl-N-{[3-bromo-1-(phenylsulfonyl)-1H-indol-2-yl]methyl}-4-methylaniline [ACD/IUPAC Name]
N-Benzyl-N-{[3-bromo-1-(phénylsulfonyl)-1H-indol-2-yl]méthyl}-4-méthylaniline [French] [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: 718.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.0±3.0 kJ/mol
Flash Point: 388.4±35.7 °C
Index of Refraction: 1.644
Molar Refractivity: 148.5±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 8.79
ACD/LogD (pH 5.5): 7.30
ACD/BCF (pH 5.5): 206388.88
ACD/KOC (pH 5.5): 221428.22
ACD/LogD (pH 7.4): 7.30
ACD/BCF (pH 7.4): 207373.56
ACD/KOC (pH 7.4): 222484.66
Polar Surface Area: 51 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 49.2±7.0 dyne/cm
Molar Volume: 409.9±7.0 cm3

Click to predict properties on the Chemicalize site


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