ChemSpider 2D Image | 2-Oxo-2-{[2-(phenylcarbamoyl)phenyl]amino}ethyl 3-[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]acrylate | C30H27ClN4O4

2-Oxo-2-{[2-(phenylcarbamoyl)phenyl]amino}ethyl 3-[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]acrylate

  • Molecular FormulaC30H27ClN4O4
  • Average mass543.013 Da
  • Monoisotopic mass542.172058 Da
  • ChemSpider ID4029009

More details:

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

2-Oxo-2-{[2-(phenylcarbamoyl)phenyl]amino}ethyl 3-[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]acrylate [ACD/IUPAC Name]
2-Oxo-2-{[2-(phenylcarbamoyl)phenyl]amino}ethyl-3-[1-(2-chlorbenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]acrylat [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl]-, 2-oxo-2-[[2-[(phenylamino)carbonyl]phenyl]amino]ethyl ester [ACD/Index Name]
3-[1-(2-Chlorobenzyl)-3,5-diméthyl-1H-pyrazol-4-yl]acrylate de 2-oxo-2-{[2-(phénylcarbamoyl)phényl]amino}éthyle [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: 705.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.2±3.0 kJ/mol
Flash Point: 380.4±32.9 °C
Index of Refraction: 1.622
Molar Refractivity: 151.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.78
ACD/LogD (pH 5.5): 5.08
ACD/BCF (pH 5.5): 4266.11
ACD/KOC (pH 5.5): 13801.54
ACD/LogD (pH 7.4): 5.08
ACD/BCF (pH 7.4): 4267.48
ACD/KOC (pH 7.4): 13805.96
Polar Surface Area: 102 Å2
Polarizability: 60.2±0.5 10-24cm3
Surface Tension: 48.2±7.0 dyne/cm
Molar Volume: 431.6±7.0 cm3

Click to predict properties on the Chemicalize site


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