ChemSpider 2D Image | 1-{2-[4-(3-{4-[2-(1-Pyrrolidinyl)ethoxy]benzyl}-1-benzothiophen-2-yl)phenoxy]ethyl}pyrrolidine | C33H38N2O2S

1-{2-[4-(3-{4-[2-(1-Pyrrolidinyl)ethoxy]benzyl}-1-benzothiophen-2-yl)phenoxy]ethyl}pyrrolidine

  • Molecular FormulaC33H38N2O2S
  • Average mass526.732 Da
  • Monoisotopic mass526.265381 Da
  • ChemSpider ID1573

More details:






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

1-{2-[4-(3-{4-[2-(1-Pyrrolidinyl)ethoxy]benzyl}-1-benzothiophen-2-yl)phenoxy]ethyl}pyrrolidin [German] [ACD/IUPAC Name]
1-{2-[4-(3-{4-[2-(1-Pyrrolidinyl)ethoxy]benzyl}-1-benzothiophen-2-yl)phenoxy]ethyl}pyrrolidine [ACD/IUPAC Name]
1-{2-[4-(3-{4-[2-(1-Pyrrolidinyl)éthoxy]benzyl}-1-benzothiophén-2-yl)phénoxy]éthyl}pyrrolidine [French] [ACD/IUPAC Name]
3-[4-(2-pyrrolidin-1-yl-ethoxy)-benzyl]-2-4-(2-pyrrolidin-1-yl-ethoxy)-phenyl] -benzo[b]thiophene
Pyrrolidine, 1-[2-[4-[[2-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]benzo[b]thien-3-yl]methyl]phenoxy]ethyl]- [ACD/Index Name]
BT2

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

Density: 1.2±0.1 g/cm3
Boiling Point: 699.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.5±3.0 kJ/mol
Flash Point: 377.0±31.5 °C
Index of Refraction: 1.624
Molar Refractivity: 159.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 8.89
ACD/LogD (pH 5.5): 3.42
ACD/BCF (pH 5.5): 24.25
ACD/KOC (pH 5.5): 23.32
ACD/LogD (pH 7.4): 3.61
ACD/BCF (pH 7.4): 37.94
ACD/KOC (pH 7.4): 36.48
Polar Surface Area: 53 Å2
Polarizability: 63.1±0.5 10-24cm3
Surface Tension: 48.9±3.0 dyne/cm
Molar Volume: 450.3±3.0 cm3

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