ChemSpider 2D Image | 2-[(4E)-4-{[5-(4-Bromophenyl)-2-thienyl]methylene}-5-oxo-2-thioxo-1-imidazolidinyl]-3-phenylpropanoic acid | C23H17BrN2O3S2

2-[(4E)-4-{[5-(4-Bromophenyl)-2-thienyl]methylene}-5-oxo-2-thioxo-1-imidazolidinyl]-3-phenylpropanoic acid

  • Molecular FormulaC23H17BrN2O3S2
  • Average mass513.427 Da
  • Monoisotopic mass511.986389 Da
  • ChemSpider ID31124510

  • Double-bond stereo - Double-bond stereo

More details:

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

1-Imidazolidineacetic acid, 4-[[5-(4-bromophenyl)-2-thienyl]methylene]-5-oxo-α-(phenylmethyl)-2-thioxo-, (4E)- [ACD/Index Name]
2-[(4E)-4-{[5-(4-Bromophenyl)-2-thienyl]methylene}-5-oxo-2-thioxo-1-imidazolidinyl]-3-phenylpropanoic acid [ACD/IUPAC Name]
2-[(4E)-4-{[5-(4-Bromphenyl)-2-thienyl]methylen}-5-oxo-2-thioxo-1-imidazolidinyl]-3-phenylpropansäure [German] [ACD/IUPAC Name]
Acide 2-[(4E)-4-{[5-(4-bromophényl)-2-thiényl]méthylène}-5-oxo-2-thioxo-1-imidazolidinyl]-3-phénylpropanoïque [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 673.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.9±3.0 kJ/mol
Flash Point: 361.0±34.3 °C
Index of Refraction: 1.762
Molar Refractivity: 128.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.64
ACD/LogD (pH 5.5): 3.27
ACD/BCF (pH 5.5): 58.81
ACD/KOC (pH 5.5): 170.47
ACD/LogD (pH 7.4): 1.59
ACD/BCF (pH 7.4): 1.21
ACD/KOC (pH 7.4): 3.52
Polar Surface Area: 130 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 85.4±5.0 dyne/cm
Molar Volume: 311.5±5.0 cm3

Click to predict properties on the Chemicalize site


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