ChemSpider 2D Image | N-[2-(1H-Indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-nitro-4-(1-piperidinylsulfonyl)aniline | C28H30N4O5S

N-[2-(1H-Indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-nitro-4-(1-piperidinylsulfonyl)aniline

  • Molecular FormulaC28H30N4O5S
  • Average mass534.627 Da
  • Monoisotopic mass534.193665 Da
  • ChemSpider ID4019786

More details:

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

1H-Indole-3-ethanamine, β-(4-methoxyphenyl)-N-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]- [ACD/Index Name]
N-[2-(1H-Indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-nitro-4-(1-piperidinylsulfonyl)anilin [German] [ACD/IUPAC Name]
N-[2-(1H-Indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-nitro-4-(1-piperidinylsulfonyl)aniline [ACD/IUPAC Name]
N-[2-(1H-Indol-3-yl)-2-(4-méthoxyphényl)éthyl]-2-nitro-4-(1-pipéridinylsulfonyl)aniline [French] [ACD/IUPAC 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: 778.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.3±3.0 kJ/mol
Flash Point: 424.6±35.7 °C
Index of Refraction: 1.668
Molar Refractivity: 146.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.96
ACD/LogD (pH 5.5): 6.25
ACD/BCF (pH 5.5): 33146.76
ACD/KOC (pH 5.5): 59884.66
ACD/LogD (pH 7.4): 6.25
ACD/BCF (pH 7.4): 33146.76
ACD/KOC (pH 7.4): 59884.66
Polar Surface Area: 129 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 64.3±3.0 dyne/cm
Molar Volume: 393.6±3.0 cm3

Click to predict properties on the Chemicalize site


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