ChemSpider 2D Image | 2-{4-[(5-Ethoxy-4-methoxy-2-nitrobenzoyl)amino]-1H-pyrazol-1-yl}-2-methylpropanoic acid | C17H20N4O7

2-{4-[(5-Ethoxy-4-methoxy-2-nitrobenzoyl)amino]-1H-pyrazol-1-yl}-2-methylpropanoic acid

  • Molecular FormulaC17H20N4O7
  • Average mass392.363 Da
  • Monoisotopic mass392.133209 Da
  • ChemSpider ID54658880

More details:






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

1H-Pyrazole-1-acetic acid, 4-[(5-ethoxy-4-methoxy-2-nitrobenzoyl)amino]-α,α-dimethyl- [ACD/Index Name]
2-{4-[(5-Ethoxy-4-methoxy-2-nitrobenzoyl)amino]-1H-pyrazol-1-yl}-2-methylpropanoic acid [ACD/IUPAC Name]
2-{4-[(5-Ethoxy-4-methoxy-2-nitrobenzoyl)amino]-1H-pyrazol-1-yl}-2-methylpropansäure [German] [ACD/IUPAC Name]
Acide 2-{4-[(5-éthoxy-4-méthoxy-2-nitrobenzoyl)amino]-1H-pyrazol-1-yl}-2-méthylpropanoïque [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 569.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.9±3.0 kJ/mol
Flash Point: 298.2±30.1 °C
Index of Refraction: 1.603
Molar Refractivity: 96.6±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.07
ACD/LogD (pH 5.5): -0.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.52
ACD/LogD (pH 7.4): -1.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 149 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 53.3±7.0 dyne/cm
Molar Volume: 281.4±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement