ChemSpider 2D Image | 1-{4-[4,6-Di(3-oxa-8-azabicyclo[3.2.1]oct-8-yl)-1,3,5-triazin-2-yl]phenyl}-3-[4-(1-piperazinyl)phenyl]urea | C32H39N9O3

1-{4-[4,6-Di(3-oxa-8-azabicyclo[3.2.1]oct-8-yl)-1,3,5-triazin-2-yl]phenyl}-3-[4-(1-piperazinyl)phenyl]urea

  • Molecular FormulaC32H39N9O3
  • Average mass597.711 Da
  • Monoisotopic mass597.317566 Da
  • ChemSpider ID24669454

More details:

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

1-{4-[4,6-Di(3-oxa-8-azabicyclo[3.2.1]oct-8-yl)-1,3,5-triazin-2-yl]phenyl}-3-[4-(1-piperazinyl)phenyl]harnstoff [German] [ACD/IUPAC Name]
1-{4-[4,6-Di(3-oxa-8-azabicyclo[3.2.1]oct-8-yl)-1,3,5-triazin-2-yl]phenyl}-3-[4-(1-piperazinyl)phenyl]urea [ACD/IUPAC Name]
1-{4-[4,6-Di(3-oxa-8-azabicyclo[3.2.1]oct-8-yl)-1,3,5-triazin-2-yl]phényl}-3-[4-(1-pipérazinyl)phényl]urée [French] [ACD/IUPAC Name]
Urea, N-[4-(4,6-di-3-oxa-8-azabicyclo[3.2.1]oct-8-yl-1,3,5-triazin-2-yl)phenyl]-N'-[4-(1-piperazinyl)phenyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.671
Molar Refractivity: 165.7±0.3 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -0.02
ACD/LogD (pH 5.5): -2.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.52
Polar Surface Area: 120 Å2
Polarizability: 65.7±0.5 10-24cm3
Surface Tension: 66.9±3.0 dyne/cm
Molar Volume: 442.7±3.0 cm3

Click to predict properties on the Chemicalize site


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