ChemSpider 2D Image | 4-{2-Methoxy-4-[(2-{4-[2-(1-pyrrolidinyl)ethoxy]phenyl}-1-benzothiophen-3-yl)methyl]benzyl}morpholine | C33H38N2O3S

4-{2-Methoxy-4-[(2-{4-[2-(1-pyrrolidinyl)ethoxy]phenyl}-1-benzothiophen-3-yl)methyl]benzyl}morpholine

  • Molecular FormulaC33H38N2O3S
  • Average mass542.731 Da
  • Monoisotopic mass542.260315 Da
  • ChemSpider ID13578120

More details:

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

4-{2-Methoxy-4-[(2-{4-[2-(1-pyrrolidinyl)ethoxy]phenyl}-1-benzothiophen-3-yl)methyl]benzyl}morpholin [German] [ACD/IUPAC Name]
4-{2-Methoxy-4-[(2-{4-[2-(1-pyrrolidinyl)ethoxy]phenyl}-1-benzothiophen-3-yl)methyl]benzyl}morpholine [ACD/IUPAC Name]
4-{2-Méthoxy-4-[(2-{4-[2-(1-pyrrolidinyl)éthoxy]phényl}-1-benzothiophén-3-yl)méthyl]benzyl}morpholine [French] [ACD/IUPAC Name]
Morpholine, 4-[[2-methoxy-4-[[2-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]benzo[b]thien-3-yl]methyl]phenyl]methyl]- [ACD/Index Name]
4-(2-Methoxy-4-{2-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-benzo[b]thiophen-3-ylmethyl}-benzyl)-morpholine
4-{2-methoxy-4-[(2-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-1-benzothiophen-3-yl)methyl]benzyl}morpholine
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL275819/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 696.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.1±3.0 kJ/mol
Flash Point: 375.3±31.5 °C
Index of Refraction: 1.625
Molar Refractivity: 160.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.41
ACD/LogD (pH 5.5): 2.64
ACD/BCF (pH 5.5): 7.45
ACD/KOC (pH 5.5): 12.54
ACD/LogD (pH 7.4): 4.20
ACD/BCF (pH 7.4): 273.83
ACD/KOC (pH 7.4): 460.74
Polar Surface Area: 62 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 49.7±3.0 dyne/cm
Molar Volume: 455.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement