ChemSpider 2D Image | 1-{5-(1,4-Diazepan-1-ylcarbonyl)-2-[4-(diphenylmethyl)-1-piperazinyl]phenyl}-3-phenylurea | C36H40N6O2

1-{5-(1,4-Diazepan-1-ylcarbonyl)-2-[4-(diphenylmethyl)-1-piperazinyl]phenyl}-3-phenylurea

  • Molecular FormulaC36H40N6O2
  • Average mass588.742 Da
  • Monoisotopic mass588.321289 Da
  • ChemSpider ID9551683

More details:

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

1-{5-(1,4-Diazepan-1-ylcarbonyl)-2-[4-(diphenylmethyl)-1-piperazinyl]phenyl}-3-phenylharnstoff [German] [ACD/IUPAC Name]
1-{5-(1,4-Diazepan-1-ylcarbonyl)-2-[4-(diphenylmethyl)-1-piperazinyl]phenyl}-3-phenylurea [ACD/IUPAC Name]
1-{5-(1,4-Diazépan-1-ylcarbonyl)-2-[4-(diphénylméthyl)-1-pipérazinyl]phényl}-3-phénylurée [French] [ACD/IUPAC Name]
Urea, N-[2-[4-(diphenylmethyl)-1-piperazinyl]-5-[(hexahydro-1H-1,4-diazepin-1-yl)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: 702.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.8±3.0 kJ/mol
Flash Point: 378.4±32.9 °C
Index of Refraction: 1.663
Molar Refractivity: 175.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.81
ACD/LogD (pH 5.5): 1.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.76
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 27.85
ACD/KOC (pH 7.4): 105.54
Polar Surface Area: 80 Å2
Polarizability: 69.7±0.5 10-24cm3
Surface Tension: 59.2±3.0 dyne/cm
Molar Volume: 474.2±3.0 cm3

Click to predict properties on the Chemicalize site


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