ChemSpider 2D Image | 3-[4-(2-pyrrolidin-1-yl-ethoxy)-benzyl]-2-4-(2-pyrrolidin-1-yl-ethoxy)-phenyl] -benzo[b]thiophen-6-ol | C32H37N3O3S

3-[4-(2-pyrrolidin-1-yl-ethoxy)-benzyl]-2-4-(2-pyrrolidin-1-yl-ethoxy)-phenyl] -benzo[b]thiophen-6-ol

  • Molecular FormulaC32H37N3O3S
  • Average mass543.719 Da
  • Monoisotopic mass543.255554 Da
  • ChemSpider ID1572

More details:






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

3-[4-(2-pyrrolidin-1-yl-ethoxy)-benzyl]-2-4-(2-pyrrolidin-1-yl-ethoxy)-phenyl] -benzo[b]thiophen-6-ol
3-{4-[2-(1-Pyrrolidinyl)ethoxy]benzyl}-2-{6-[2-(1-pyrrolidinyl)ethoxy]-3-pyridinyl}-1-benzothiophen-6-ol [German] [ACD/IUPAC Name]
3-{4-[2-(1-Pyrrolidinyl)ethoxy]benzyl}-2-{6-[2-(1-pyrrolidinyl)ethoxy]-3-pyridinyl}-1-benzothiophene-6-ol [ACD/IUPAC Name]
3-{4-[2-(1-Pyrrolidinyl)éthoxy]benzyl}-2-{6-[2-(1-pyrrolidinyl)éthoxy]-3-pyridinyl}-1-benzothiophène-6-ol [French] [ACD/IUPAC Name]
Benzo[b]thiophene-6-ol, 3-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]methyl]-2-[6-[2-(1-pyrrolidinyl)ethoxy]-3-pyridinyl]- [ACD/Index Name]
BT3

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

Density: 1.2±0.1 g/cm3
Boiling Point: 741.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.9±3.0 kJ/mol
Flash Point: 401.9±32.9 °C
Index of Refraction: 1.639
Molar Refractivity: 159.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.52
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 1.70
ACD/KOC (pH 5.5): 3.47
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 7.4): 3.35
ACD/KOC (pH 7.4): 6.86
Polar Surface Area: 86 Å2
Polarizability: 63.0±0.5 10-24cm3
Surface Tension: 54.7±3.0 dyne/cm
Molar Volume: 442.0±3.0 cm3

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