ChemSpider 2D Image | 1-{2-[5-(1,3-Benzodioxol-5-yl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-(2-methyl-2-propanyl)-1-[2-(4-morpholinyl)ethyl]urea | C30H39N5O6

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

  • Molecular FormulaC30H39N5O6
  • Average mass565.661 Da
  • Monoisotopic mass565.290039 Da
  • ChemSpider ID22602388

More details:

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

1-{2-[5-(1,3-Benzodioxol-5-yl)-3-(4-methoxyphenyl)-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-(4-methoxyphenyl)-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-(4-méthoxyphényl)-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)-4,5-dihydro-3-(4-methoxyphenyl)-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: 153.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.50
ACD/LogD (pH 5.5): 1.28
ACD/BCF (pH 5.5): 3.14
ACD/KOC (pH 5.5): 40.09
ACD/LogD (pH 7.4): 2.27
ACD/BCF (pH 7.4): 30.28
ACD/KOC (pH 7.4): 386.67
Polar Surface Area: 105 Å2
Polarizability: 60.7±0.5 10-24cm3
Surface Tension: 48.8±7.0 dyne/cm
Molar Volume: 436.3±7.0 cm3

Click to predict properties on the Chemicalize site


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