ChemSpider 2D Image | {4-[2-(1-Pyrrolidinyl)ethoxy]phenyl}(2-{6-[2-(1-pyrrolidinyl)ethoxy]-3-pyridinyl}-1-benzothiophen-3-yl)methanone | C32H35N3O3S

{4-[2-(1-Pyrrolidinyl)ethoxy]phenyl}(2-{6-[2-(1-pyrrolidinyl)ethoxy]-3-pyridinyl}-1-benzothiophen-3-yl)methanone

  • Molecular FormulaC32H35N3O3S
  • Average mass541.704 Da
  • Monoisotopic mass541.239929 Da
  • ChemSpider ID8944154

More details:

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

{4-[2-(1-Pyrrolidinyl)ethoxy]phenyl}(2-{6-[2-(1-pyrrolidinyl)ethoxy]-3-pyridinyl}-1-benzothiophen-3-yl)methanon [German] [ACD/IUPAC Name]
{4-[2-(1-Pyrrolidinyl)ethoxy]phenyl}(2-{6-[2-(1-pyrrolidinyl)ethoxy]-3-pyridinyl}-1-benzothiophen-3-yl)methanone [ACD/IUPAC Name]
{4-[2-(1-Pyrrolidinyl)éthoxy]phényl}(2-{6-[2-(1-pyrrolidinyl)éthoxy]-3-pyridinyl}-1-benzothiophén-3-yl)méthanone [French] [ACD/IUPAC Name]
{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}(2-{6-[2-(pyrrolidin-1-yl)ethoxy]pyridin-3-yl}-1-benzothiophen-3-yl)methanone
Methanone, [4-[2-(1-pyrrolidinyl)ethoxy]phenyl][2-[6-[2-(1-pyrrolidinyl)ethoxy]-3-pyridinyl]benzo[b]thien-3-yl]- [ACD/Index Name]
[4-(2-Pyrrolidin-1-yl-ethoxy)-phenyl]-{2-[6-(2-pyrrolidin-1-yl-ethoxy)-pyridin-3-yl]-benzo[b]thiophen-3-yl}-methanone

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 736.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.4±3.0 kJ/mol
Flash Point: 399.2±32.9 °C
Index of Refraction: 1.631
Molar Refractivity: 157.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.37
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 1.43
ACD/KOC (pH 5.5): 3.08
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 3.34
ACD/KOC (pH 7.4): 7.18
Polar Surface Area: 83 Å2
Polarizability: 62.5±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 442.3±3.0 cm3

Click to predict properties on the Chemicalize site


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