ChemSpider 2D Image | N-[3-(Benzylsulfanyl)-1-(3-ethyl-6-methoxy-3,4-dihydro-1(2H)-quinolinyl)-1-oxo-2-propanyl]-3-isobutoxybenzamide | C33H40N2O4S

N-[3-(Benzylsulfanyl)-1-(3-ethyl-6-methoxy-3,4-dihydro-1(2H)-quinolinyl)-1-oxo-2-propanyl]-3-isobutoxybenzamide

  • Molecular FormulaC33H40N2O4S
  • Average mass560.747 Da
  • Monoisotopic mass560.270874 Da
  • ChemSpider ID122280778

More details:

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

Benzamide, N-[2-(3-ethyl-3,4-dihydro-6-methoxy-1(2H)-quinolinyl)-2-oxo-1-[[(phenylmethyl)thio]methyl]ethyl]-3-(2-methylpropoxy)- [ACD/Index Name]
N-[3-(Benzylsulfanyl)-1-(3-ethyl-6-methoxy-3,4-dihydro-1(2H)-chinolinyl)-1-oxo-2-propanyl]-3-isobutoxybenzamid [German] [ACD/IUPAC Name]
N-[3-(Benzylsulfanyl)-1-(3-éthyl-6-méthoxy-3,4-dihydro-1(2H)-quinoléinyl)-1-oxo-2-propanyl]-3-isobutoxybenzamide [French] [ACD/IUPAC Name]
N-[3-(Benzylsulfanyl)-1-(3-ethyl-6-methoxy-3,4-dihydro-1(2H)-quinolinyl)-1-oxo-2-propanyl]-3-isobutoxybenzamide [ACD/IUPAC 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: 772.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.5±3.0 kJ/mol
Flash Point: 421.1±32.9 °C
Index of Refraction: 1.583
Molar Refractivity: 162.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 8.22
ACD/LogD (pH 5.5): 6.43
ACD/BCF (pH 5.5): 45141.19
ACD/KOC (pH 5.5): 74698.36
ACD/LogD (pH 7.4): 6.43
ACD/BCF (pH 7.4): 45146.29
ACD/KOC (pH 7.4): 74706.80
Polar Surface Area: 93 Å2
Polarizability: 64.5±0.5 10-24cm3
Surface Tension: 46.2±3.0 dyne/cm
Molar Volume: 486.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement