ChemSpider 2D Image | N-{2-[5-(4-Chlorophenyl)-3-(3,4-dimethylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3,3-dimethyl-N-[2-(4-morpholinyl)ethyl]butanamide | C31H41ClN4O3

N-{2-[5-(4-Chlorophenyl)-3-(3,4-dimethylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3,3-dimethyl-N-[2-(4-morpholinyl)ethyl]butanamide

  • Molecular FormulaC31H41ClN4O3
  • Average mass553.135 Da
  • Monoisotopic mass552.286743 Da
  • ChemSpider ID22601799

More details:

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

Butanamide, N-[2-[5-(4-chlorophenyl)-3-(3,4-dimethylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl]-3,3-dimethyl-N-[2-(4-morpholinyl)ethyl]- [ACD/Index Name]
N-{2-[5-(4-Chlorophenyl)-3-(3,4-dimethylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3,3-dimethyl-N-[2-(4-morpholinyl)ethyl]butanamide [ACD/IUPAC Name]
N-{2-[5-(4-Chlorophényl)-3-(3,4-diméthylphényl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoéthyl}-3,3-diméthyl-N-[2-(4-morpholinyl)éthyl]butanamide [French] [ACD/IUPAC Name]
N-{2-[5-(4-Chlorphenyl)-3-(3,4-dimethylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3,3-dimethyl-N-[2-(4-morpholinyl)ethyl]butanamid [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 684.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.3±3.0 kJ/mol
Flash Point: 367.5±34.3 °C
Index of Refraction: 1.592
Molar Refractivity: 157.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.23
ACD/LogD (pH 5.5): 4.07
ACD/BCF (pH 5.5): 459.20
ACD/KOC (pH 5.5): 1624.86
ACD/LogD (pH 7.4): 4.87
ACD/BCF (pH 7.4): 2901.35
ACD/KOC (pH 7.4): 10266.36
Polar Surface Area: 65 Å2
Polarizability: 62.4±0.5 10-24cm3
Surface Tension: 42.9±7.0 dyne/cm
Molar Volume: 465.3±7.0 cm3

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