ChemSpider 2D Image | 1-{2-[5-(1,3-Benzodioxol-5-yl)-3-(3,4-dimethylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-(2-methyl-2-propanyl)-1-[2-(4-morpholinyl)ethyl]urea | C31H41N5O5

1-{2-[5-(1,3-Benzodioxol-5-yl)-3-(3,4-dimethylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-(2-methyl-2-propanyl)-1-[2-(4-morpholinyl)ethyl]urea

  • Molecular FormulaC31H41N5O5
  • Average mass563.688 Da
  • Monoisotopic mass563.310791 Da
  • ChemSpider ID22601515

More details:

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

1-{2-[5-(1,3-Benzodioxol-5-yl)-3-(3,4-dimethylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-(2-methyl-2-propanyl)-1-[2-(4-morpholinyl)ethyl]harnstoff [German] [ACD/IUPAC Name]
1-{2-[5-(1,3-Benzodioxol-5-yl)-3-(3,4-dimethylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-(2-methyl-2-propanyl)-1-[2-(4-morpholinyl)ethyl]urea [ACD/IUPAC Name]
1-{2-[5-(1,3-Benzodioxol-5-yl)-3-(3,4-diméthylphényl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoéthyl}-3-(2-méthyl-2-propanyl)-1-[2-(4-morpholinyl)éthyl]urée [French] [ACD/IUPAC Name]
Urea, N-[2-[5-(1,3-benzodioxol-5-yl)-3-(3,4-dimethylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl]-N'-(1,1-dimethylethyl)-N-[2-(4-morpholinyl)ethyl]- [ACD/Index 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.619
Molar Refractivity: 156.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.51
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 20.03
ACD/KOC (pH 5.5): 151.05
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 193.22
ACD/KOC (pH 7.4): 1456.91
Polar Surface Area: 96 Å2
Polarizability: 61.9±0.5 10-24cm3
Surface Tension: 47.0±7.0 dyne/cm
Molar Volume: 445.0±7.0 cm3

Click to predict properties on the Chemicalize site


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