ChemSpider 2D Image | N-[2,5-Diethoxy-4-(4-morpholinyl)phenyl]-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamide | C21H29N5O6

N-[2,5-Diethoxy-4-(4-morpholinyl)phenyl]-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamide

  • Molecular FormulaC21H29N5O6
  • Average mass447.485 Da
  • Monoisotopic mass447.211792 Da
  • ChemSpider ID21955542

More details:

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

1H-Pyrazole-1-acetamide, N-[2,5-diethoxy-4-(4-morpholinyl)phenyl]-3,5-dimethyl-4-nitro- [ACD/Index Name]
N-[2,5-Diethoxy-4-(4-morpholinyl)phenyl]-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamid [German] [ACD/IUPAC Name]
N-[2,5-Diethoxy-4-(4-morpholinyl)phenyl]-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamide [ACD/IUPAC Name]
N-[2,5-Diéthoxy-4-(4-morpholinyl)phényl]-2-(3,5-diméthyl-4-nitro-1H-pyrazol-1-yl)acétamide [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: 670.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.5±3.0 kJ/mol
Flash Point: 359.3±31.5 °C
Index of Refraction: 1.608
Molar Refractivity: 115.6±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.72
ACD/LogD (pH 5.5): 1.95
ACD/BCF (pH 5.5): 10.91
ACD/KOC (pH 5.5): 107.46
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 78.07
ACD/KOC (pH 7.4): 769.00
Polar Surface Area: 124 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 49.5±7.0 dyne/cm
Molar Volume: 334.5±7.0 cm3

Click to predict properties on the Chemicalize site


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