ChemSpider 2D Image | 1-{2-[4-(Diphenylmethyl)-1-piperazinyl]-5-[(4-methyl-1-piperazinyl)carbonyl]phenyl}-3-phenylurea | C36H40N6O2

1-{2-[4-(Diphenylmethyl)-1-piperazinyl]-5-[(4-methyl-1-piperazinyl)carbonyl]phenyl}-3-phenylurea

  • Molecular FormulaC36H40N6O2
  • Average mass588.742 Da
  • Monoisotopic mass588.321289 Da
  • ChemSpider ID9367663

More details:

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

1-{2-[4-(Diphenylmethyl)-1-piperazinyl]-5-[(4-methyl-1-piperazinyl)carbonyl]phenyl}-3-phenylharnstoff [German] [ACD/IUPAC Name]
1-{2-[4-(Diphenylmethyl)-1-piperazinyl]-5-[(4-methyl-1-piperazinyl)carbonyl]phenyl}-3-phenylurea [ACD/IUPAC Name]
1-{2-[4-(Diphénylméthyl)-1-pipérazinyl]-5-[(4-méthyl-1-pipérazinyl)carbonyl]phényl}-3-phénylurée [French] [ACD/IUPAC Name]
Urea, N-[2-[4-(diphenylmethyl)-1-piperazinyl]-5-[(4-methyl-1-piperazinyl)carbonyl]phenyl]-N'-phenyl- [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: 686.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.7±3.0 kJ/mol
Flash Point: 369.1±31.5 °C
Index of Refraction: 1.670
Molar Refractivity: 176.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 3.59
ACD/BCF (pH 5.5): 143.04
ACD/KOC (pH 5.5): 478.87
ACD/LogD (pH 7.4): 4.94
ACD/BCF (pH 7.4): 3217.25
ACD/KOC (pH 7.4): 10771.10
Polar Surface Area: 71 Å2
Polarizability: 69.8±0.5 10-24cm3
Surface Tension: 60.3±3.0 dyne/cm
Molar Volume: 471.5±3.0 cm3

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