ChemSpider 2D Image | N~2~-[3-(4-Isopropylphenyl)-4-methylpentanoyl]-N-[2-(1-piperidinyl)-5-(trifluoromethyl)phenyl]methioninamide | C32H44F3N3O2S

N2-[3-(4-Isopropylphenyl)-4-methylpentanoyl]-N-[2-(1-piperidinyl)-5-(trifluoromethyl)phenyl]methioninamide

  • Molecular FormulaC32H44F3N3O2S
  • Average mass591.771 Da
  • Monoisotopic mass591.310608 Da
  • ChemSpider ID120777552

More details:

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

Benzenepropanamide, β,4-bis(1-methylethyl)-N-[3-(methylthio)-1-[[[2-(1-piperidinyl)-5-(trifluoromethyl)phenyl]amino]carbonyl]propyl]- [ACD/Index Name]
N2-[3-(4-Isopropylphenyl)-4-methylpentanoyl]-N-[2-(1-piperidinyl)-5-(trifluormethyl)phenyl]methioninamid [German] [ACD/IUPAC Name]
N2-[3-(4-Isopropylphenyl)-4-methylpentanoyl]-N-[2-(1-piperidinyl)-5-(trifluoromethyl)phenyl]methioninamide [ACD/IUPAC Name]
N2-[3-(4-Isopropylphényl)-4-méthylpentanoyl]-N-[2-(1-pipéridinyl)-5-(trifluorométhyl)phényl]méthioninamide [French] [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: 736.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.5±3.0 kJ/mol
Flash Point: 399.5±32.9 °C
Index of Refraction: 1.550
Molar Refractivity: 162.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 8.42
ACD/LogD (pH 5.5): 7.43
ACD/BCF (pH 5.5): 261909.00
ACD/KOC (pH 5.5): 261591.14
ACD/LogD (pH 7.4): 7.44
ACD/BCF (pH 7.4): 266692.97
ACD/KOC (pH 7.4): 266369.31
Polar Surface Area: 87 Å2
Polarizability: 64.3±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 509.0±3.0 cm3

Click to predict properties on the Chemicalize site


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