ChemSpider 2D Image | 1-(2-Methoxyethyl)-3-(2-{4-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)carbonyl]-1-piperazinyl}ethyl)urea | C16H28N6O4

1-(2-Methoxyethyl)-3-(2-{4-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)carbonyl]-1-piperazinyl}ethyl)urea

  • Molecular FormulaC16H28N6O4
  • Average mass368.431 Da
  • Monoisotopic mass368.217194 Da
  • ChemSpider ID39283747

More details:

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

1-(2-Methoxyethyl)-3-(2-{4-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)carbonyl]-1-piperazinyl}ethyl)harnstoff [German] [ACD/IUPAC Name]
1-(2-Methoxyethyl)-3-(2-{4-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)carbonyl]-1-piperazinyl}ethyl)urea [ACD/IUPAC Name]
1-(2-Méthoxyéthyl)-3-(2-{4-[(3-méthoxy-1-méthyl-1H-pyrazol-4-yl)carbonyl]-1-pipérazinyl}éthyl)urée [French] [ACD/IUPAC Name]
Urea, N-(2-methoxyethyl)-N'-[2-[4-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)carbonyl]-1-piperazinyl]ethyl]- [ACD/Index Name]
1-(2-(4-(3-methoxy-1-methyl-1H-pyrazole-4-carbonyl)piperazin-1-yl)ethyl)-3-(2-methoxyethyl)urea

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

Density: 1.3±0.1 g/cm3
Boiling Point: 624.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.5±3.0 kJ/mol
Flash Point: 331.6±31.5 °C
Index of Refraction: 1.591
Molar Refractivity: 96.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: -1.62
ACD/LogD (pH 5.5): -1.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.51
ACD/LogD (pH 7.4): -0.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.01
Polar Surface Area: 101 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 48.6±7.0 dyne/cm
Molar Volume: 284.6±7.0 cm3

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