ChemSpider 2D Image | 3-(4-Isopropylphenyl)-N-{1-[4-(3-methoxyphenyl)-1-piperazinyl]-4-(methylsulfanyl)-1-oxo-2-butanyl}-4-methylpentanamide | C31H45N3O3S

3-(4-Isopropylphenyl)-N-{1-[4-(3-methoxyphenyl)-1-piperazinyl]-4-(methylsulfanyl)-1-oxo-2-butanyl}-4-methylpentanamide

  • Molecular FormulaC31H45N3O3S
  • Average mass539.772 Da
  • Monoisotopic mass539.318176 Da
  • ChemSpider ID121669711

More details:

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

3-(4-Isopropylphenyl)-N-{1-[4-(3-methoxyphenyl)-1-piperazinyl]-4-(methylsulfanyl)-1-oxo-2-butanyl}-4-methylpentanamid [German] [ACD/IUPAC Name]
3-(4-Isopropylphenyl)-N-{1-[4-(3-methoxyphenyl)-1-piperazinyl]-4-(methylsulfanyl)-1-oxo-2-butanyl}-4-methylpentanamide [ACD/IUPAC Name]
3-(4-Isopropylphényl)-N-{1-[4-(3-méthoxyphényl)-1-pipérazinyl]-4-(méthylsulfanyl)-1-oxo-2-butanyl}-4-méthylpentanamide [French] [ACD/IUPAC Name]
Benzenepropanamide, N-[1-[[4-(3-methoxyphenyl)-1-piperazinyl]carbonyl]-3-(methylthio)propyl]-β,4-bis(1-methylethyl)- [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: 737.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.6±3.0 kJ/mol
Flash Point: 399.9±32.9 °C
Index of Refraction: 1.559
Molar Refractivity: 157.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.00
ACD/LogD (pH 5.5): 5.45
ACD/BCF (pH 5.5): 8145.12
ACD/KOC (pH 5.5): 21920.04
ACD/LogD (pH 7.4): 5.45
ACD/BCF (pH 7.4): 8156.16
ACD/KOC (pH 7.4): 21949.76
Polar Surface Area: 87 Å2
Polarizability: 62.6±0.5 10-24cm3
Surface Tension: 44.4±3.0 dyne/cm
Molar Volume: 488.8±3.0 cm3

Click to predict properties on the Chemicalize site


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