ChemSpider 2D Image | 8-(3-{[4-Methyl-2-(1-piperidinylmethyl)phenoxy]methyl}phenyl)-6-[2-(methylsulfonyl)-2-propanyl]quinoline | C33H38N2O3S

8-(3-{[4-Methyl-2-(1-piperidinylmethyl)phenoxy]methyl}phenyl)-6-[2-(methylsulfonyl)-2-propanyl]quinoline

  • Molecular FormulaC33H38N2O3S
  • Average mass542.731 Da
  • Monoisotopic mass542.260315 Da
  • ChemSpider ID8487270

More details:

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

8-(3-{[4-Methyl-2-(1-piperidinylmethyl)phenoxy]methyl}phenyl)-6-[2-(methylsulfonyl)-2-propanyl]chinolin [German] [ACD/IUPAC Name]
8-(3-{[4-Méthyl-2-(1-pipéridinylméthyl)phénoxy]méthyl}phényl)-6-[2-(méthylsulfonyl)-2-propanyl]quinoléine [French] [ACD/IUPAC Name]
8-(3-{[4-Methyl-2-(1-piperidinylmethyl)phenoxy]methyl}phenyl)-6-[2-(methylsulfonyl)-2-propanyl]quinoline [ACD/IUPAC Name]
Quinoline, 6-[1-methyl-1-(methylsulfonyl)ethyl]-8-[3-[[4-methyl-2-(1-piperidinylmethyl)phenoxy]methyl]phenyl]- [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: 705.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.2±3.0 kJ/mol
Flash Point: 380.6±32.9 °C
Index of Refraction: 1.615
Molar Refractivity: 159.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.81
ACD/LogD (pH 5.5): 2.57
ACD/BCF (pH 5.5): 10.14
ACD/KOC (pH 5.5): 25.97
ACD/LogD (pH 7.4): 3.89
ACD/BCF (pH 7.4): 210.90
ACD/KOC (pH 7.4): 540.35
Polar Surface Area: 68 Å2
Polarizability: 63.2±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 457.1±3.0 cm3

Click to predict properties on the Chemicalize site


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