ChemSpider 2D Image | {4-[2-(Diethylamino)ethoxy]phenyl}(2-{4-[2-(1-pyrrolidinyl)ethoxy]phenyl}-1-benzothiophen-3-yl)methanone | C33H38N2O3S

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

  • Molecular FormulaC33H38N2O3S
  • Average mass542.731 Da
  • Monoisotopic mass542.260315 Da
  • ChemSpider ID8801686

More details:

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

{4-[2-(Diethylamino)ethoxy]phenyl}(2-{4-[2-(1-pyrrolidinyl)ethoxy]phenyl}-1-benzothiophen-3-yl)methanon [German] [ACD/IUPAC Name]
{4-[2-(Diethylamino)ethoxy]phenyl}(2-{4-[2-(1-pyrrolidinyl)ethoxy]phenyl}-1-benzothiophen-3-yl)methanone [ACD/IUPAC Name]
{4-[2-(Diéthylamino)éthoxy]phényl}(2-{4-[2-(1-pyrrolidinyl)éthoxy]phényl}-1-benzothiophén-3-yl)méthanone [French] [ACD/IUPAC Name]
Methanone, [4-[2-(diethylamino)ethoxy]phenyl][2-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]benzo[b]thien-3-yl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 703.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.0±3.0 kJ/mol
Flash Point: 379.4±32.9 °C
Index of Refraction: 1.610
Molar Refractivity: 161.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 8.48
ACD/LogD (pH 5.5): 2.63
ACD/BCF (pH 5.5): 6.12
ACD/KOC (pH 5.5): 8.70
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 11.55
ACD/KOC (pH 7.4): 16.43
Polar Surface Area: 70 Å2
Polarizability: 64.1±0.5 10-24cm3
Surface Tension: 47.6±3.0 dyne/cm
Molar Volume: 466.5±3.0 cm3

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