Found 20 results

Search term: MF = 'C_{34}H_{44}N_{8}O_{3}'
ChemSpider 2D Image | 1-[4-(4-Isopropyl-1-piperazinyl)phenyl]-3-{4-[4-(3-oxa-8-azabicyclo[3.2.1]oct-8-yl)-6-(tetrahydro-2H-pyran-4-yl)-1,3,5-triazin-2-yl]phenyl}urea | C34H44N8O3

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

  • Molecular FormulaC34H44N8O3
  • Average mass612.765 Da
  • Monoisotopic mass612.353638 Da
  • ChemSpider ID24675334

More details:

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

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

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.639
Molar Refractivity: 173.5±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.29
ACD/LogD (pH 5.5): 0.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.81
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 7.4): 16.25
ACD/KOC (pH 7.4): 138.61
Polar Surface Area: 108 Å2
Polarizability: 68.8±0.5 10-24cm3
Surface Tension: 60.9±3.0 dyne/cm
Molar Volume: 482.3±3.0 cm3

Click to predict properties on the Chemicalize site


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