Found 5 results

Search term: MF = 'C_{37}H_{31}NO_{5}S'
ChemSpider 2D Image | N-{[4'-(2-Benzyl-1-benzofuran-3-yl)-4-biphenylyl]sulfonyl}-N-methylphenylalanine | C37H31NO5S

N-{[4'-(2-Benzyl-1-benzofuran-3-yl)-4-biphenylyl]sulfonyl}-N-methylphenylalanine

  • Molecular FormulaC37H31NO5S
  • Average mass601.711 Da
  • Monoisotopic mass601.192322 Da
  • ChemSpider ID9540371

More details:

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

N-{[4'-(2-Benzyl-1-benzofuran-3-yl)-4-biphenylyl]sulfonyl}-N-methylphenylalanin [German] [ACD/IUPAC Name]
N-{[4'-(2-Benzyl-1-benzofuran-3-yl)-4-biphenylyl]sulfonyl}-N-methylphenylalanine [ACD/IUPAC Name]
N-{[4'-(2-Benzyl-1-benzofuran-3-yl)-4-biphénylyl]sulfonyl}-N-méthylphénylalanine [French] [ACD/IUPAC Name]
Phenylalanine, N-methyl-N-[[4'-[2-(phenylmethyl)-3-benzofuranyl][1,1'-biphenyl]-4-yl]sulfonyl]- [ACD/Index 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: 799.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 121.9±3.0 kJ/mol
Flash Point: 437.1±35.7 °C
Index of Refraction: 1.657
Molar Refractivity: 173.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 9.35
ACD/LogD (pH 5.5): 5.96
ACD/BCF (pH 5.5): 5770.02
ACD/KOC (pH 5.5): 3921.09
ACD/LogD (pH 7.4): 4.61
ACD/BCF (pH 7.4): 254.60
ACD/KOC (pH 7.4): 173.01
Polar Surface Area: 96 Å2
Polarizability: 68.6±0.5 10-24cm3
Surface Tension: 54.8±3.0 dyne/cm
Molar Volume: 470.6±3.0 cm3

Click to predict properties on the Chemicalize site


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