ChemSpider 2D Image | 1-{2-[5-(4-Methoxyphenyl)-3-(1-methyl-1H-pyrrol-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-(2-methyl-2-propanyl)-1-[2-(4-morpholinyl)ethyl]urea | C28H40N6O4

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

  • Molecular FormulaC28H40N6O4
  • Average mass524.655 Da
  • Monoisotopic mass524.311096 Da
  • ChemSpider ID22614243

More details:

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

1-{2-[5-(4-Methoxyphenyl)-3-(1-methyl-1H-pyrrol-2-yl)-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-(4-Methoxyphenyl)-3-(1-methyl-1H-pyrrol-2-yl)-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-(4-Méthoxyphényl)-3-(1-méthyl-1H-pyrrol-2-yl)-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-[4,5-dihydro-5-(4-methoxyphenyl)-3-(1-methyl-1H-pyrrol-2-yl)-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: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.602
Molar Refractivity: 147.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 1.63
ACD/LogD (pH 5.5): 1.21
ACD/BCF (pH 5.5): 2.77
ACD/KOC (pH 5.5): 36.95
ACD/LogD (pH 7.4): 2.18
ACD/BCF (pH 7.4): 26.15
ACD/KOC (pH 7.4): 348.40
Polar Surface Area: 92 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 46.0±7.0 dyne/cm
Molar Volume: 429.8±7.0 cm3

Click to predict properties on the Chemicalize site


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