ChemSpider 2D Image | 3-(4-Methoxy-3-methylphenyl)-4-methyl-N-{1-[4-(3-methylbenzyl)-1-piperazinyl]-4-(methylsulfanyl)-1-oxo-2-butanyl}pentanamide | C31H45N3O3S

3-(4-Methoxy-3-methylphenyl)-4-methyl-N-{1-[4-(3-methylbenzyl)-1-piperazinyl]-4-(methylsulfanyl)-1-oxo-2-butanyl}pentanamide

  • Molecular FormulaC31H45N3O3S
  • Average mass539.772 Da
  • Monoisotopic mass539.318176 Da
  • ChemSpider ID121670789

More details:

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

3-(4-Methoxy-3-methylphenyl)-4-methyl-N-{1-[4-(3-methylbenzyl)-1-piperazinyl]-4-(methylsulfanyl)-1-oxo-2-butanyl}pentanamid [German] [ACD/IUPAC Name]
3-(4-Methoxy-3-methylphenyl)-4-methyl-N-{1-[4-(3-methylbenzyl)-1-piperazinyl]-4-(methylsulfanyl)-1-oxo-2-butanyl}pentanamide [ACD/IUPAC Name]
3-(4-Méthoxy-3-méthylphényl)-4-méthyl-N-{1-[4-(3-méthylbenzyl)-1-pipérazinyl]-4-(méthylsulfanyl)-1-oxo-2-butanyl}pentanamide [French] [ACD/IUPAC Name]
Benzenepropanamide, 4-methoxy-3-methyl-β-(1-methylethyl)-N-[1-[[4-[(3-methylphenyl)methyl]-1-piperazinyl]carbonyl]-3-(methylthio)propyl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 722.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.5±3.0 kJ/mol
Flash Point: 390.7±32.9 °C
Index of Refraction: 1.565
Molar Refractivity: 158.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.82
ACD/LogD (pH 5.5): 5.01
ACD/BCF (pH 5.5): 2926.94
ACD/KOC (pH 5.5): 7793.95
ACD/LogD (pH 7.4): 5.46
ACD/BCF (pH 7.4): 8268.78
ACD/KOC (pH 7.4): 22018.33
Polar Surface Area: 87 Å2
Polarizability: 62.6±0.5 10-24cm3
Surface Tension: 45.7±3.0 dyne/cm
Molar Volume: 485.4±3.0 cm3

Click to predict properties on the Chemicalize site


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