ChemSpider 2D Image | Nalpha-[(2E)-3-Cyclopropyl-3-(3,4-dimethylphenyl)-2-propenoyl]-N-[2-(phenylsulfanyl)phenyl]tyrosinamide | C35H34N2O3S

Nα-[(2E)-3-Cyclopropyl-3-(3,4-dimethylphenyl)-2-propenoyl]-N-[2-(phenylsulfanyl)phenyl]tyrosinamide

  • Molecular FormulaC35H34N2O3S
  • Average mass562.721 Da
  • Monoisotopic mass562.229004 Da
  • ChemSpider ID120719175

  • Double-bond stereo - Double-bond stereo

More details:

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

Benzenepropanamide, α-[[(2E)-3-cyclopropyl-3-(3,4-dimethylphenyl)-1-oxo-2-propen-1-yl]amino]-4-hydroxy-N-[2-(phenylthio)phenyl]- [ACD/Index Name]
Nα-[(2E)-3-Cyclopropyl-3-(3,4-dimethylphenyl)-2-propenoyl]-N-[2-(phenylsulfanyl)phenyl]tyrosinamid [German] [ACD/IUPAC Name]
Nα-[(2E)-3-Cyclopropyl-3-(3,4-dimethylphenyl)-2-propenoyl]-N-[2-(phenylsulfanyl)phenyl]tyrosinamide [ACD/IUPAC Name]
Nα-[(2E)-3-Cyclopropyl-3-(3,4-diméthylphényl)-2-propenoyl]-N-[2-(phénylsulfanyl)phényl]tyrosinamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 831.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 125.0±3.0 kJ/mol
Flash Point: 456.7±34.3 °C
Index of Refraction: 1.680
Molar Refractivity: 166.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 7.72
ACD/LogD (pH 5.5): 6.63
ACD/BCF (pH 5.5): 64520.55
ACD/KOC (pH 5.5): 96462.14
ACD/LogD (pH 7.4): 6.63
ACD/BCF (pH 7.4): 64285.23
ACD/KOC (pH 7.4): 96110.30
Polar Surface Area: 104 Å2
Polarizability: 66.0±0.5 10-24cm3
Surface Tension: 64.0±5.0 dyne/cm
Molar Volume: 440.3±5.0 cm3

Click to predict properties on the Chemicalize site


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