ChemSpider 2D Image | 3-{4-[(3-Isopropyl-1H-indol-2-yl)sulfonyl]phenoxy}-N-methyl-N-(2-phenylethyl)-1-propanamine | C29H34N2O3S

3-{4-[(3-Isopropyl-1H-indol-2-yl)sulfonyl]phenoxy}-N-methyl-N-(2-phenylethyl)-1-propanamine

  • Molecular FormulaC29H34N2O3S
  • Average mass490.657 Da
  • Monoisotopic mass490.229004 Da
  • ChemSpider ID28467771

More details:






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

3-{4-[(3-Isopropyl-1H-indol-2-yl)sulfonyl]phenoxy}-N-methyl-N-(2-phenylethyl)-1-propanamin [German] [ACD/IUPAC Name]
3-{4-[(3-Isopropyl-1H-indol-2-yl)sulfonyl]phenoxy}-N-methyl-N-(2-phenylethyl)-1-propanamine [ACD/IUPAC Name]
3-{4-[(3-Isopropyl-1H-indol-2-yl)sulfonyl]phénoxy}-N-méthyl-N-(2-phényléthyl)-1-propanamine [French] [ACD/IUPAC Name]
Benzeneethanamine, N-methyl-N-[3-[4-[[3-(1-methylethyl)-1H-indol-2-yl]sulfonyl]phenoxy]propyl]- [ACD/Index Name]
121346-32-5 [RN]
SR 33805 oxalate
SR33805oxalate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 682.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.2±3.0 kJ/mol
Flash Point: 366.7±31.5 °C
Index of Refraction: 1.610
Molar Refractivity: 143.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.51
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 8.15
ACD/KOC (pH 5.5): 21.73
ACD/LogD (pH 7.4): 3.62
ACD/BCF (pH 7.4): 120.36
ACD/KOC (pH 7.4): 320.85
Polar Surface Area: 71 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 49.3±3.0 dyne/cm
Molar Volume: 414.8±3.0 cm3

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