ChemSpider 2D Image | 1-[1-(4-Benzyl-1-piperazinyl)-2-cyclopropyl-1-oxo-2-propanyl]-3-[2-(4-benzyl-1-piperazinyl)-2-oxoethyl]urea | C31H42N6O3

1-[1-(4-Benzyl-1-piperazinyl)-2-cyclopropyl-1-oxo-2-propanyl]-3-[2-(4-benzyl-1-piperazinyl)-2-oxoethyl]urea

  • Molecular FormulaC31H42N6O3
  • Average mass546.704 Da
  • Monoisotopic mass546.331848 Da
  • ChemSpider ID10999095

More details:

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

1-[1-(4-Benzyl-1-piperazinyl)-2-cyclopropyl-1-oxo-2-propanyl]-3-[2-(4-benzyl-1-piperazinyl)-2-oxoethyl]harnstoff [German] [ACD/IUPAC Name]
1-[1-(4-Benzyl-1-piperazinyl)-2-cyclopropyl-1-oxo-2-propanyl]-3-[2-(4-benzyl-1-piperazinyl)-2-oxoethyl]urea [ACD/IUPAC Name]
1-[1-(4-Benzyl-1-pipérazinyl)-2-cyclopropyl-1-oxo-2-propanyl]-3-[2-(4-benzyl-1-pipérazinyl)-2-oxoéthyl]urée [French] [ACD/IUPAC Name]
Urea, N-[1-cyclopropyl-1-methyl-2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-N'-[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]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: 764.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.3±3.0 kJ/mol
Flash Point: 416.1±32.9 °C
Index of Refraction: 1.615
Molar Refractivity: 153.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.21
ACD/LogD (pH 5.5): 1.55
ACD/BCF (pH 5.5): 5.62
ACD/KOC (pH 5.5): 69.71
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 36.21
ACD/KOC (pH 7.4): 449.23
Polar Surface Area: 88 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 59.3±3.0 dyne/cm
Molar Volume: 440.4±3.0 cm3

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