ChemSpider 2D Image | 1-{2-[1'-(2,2-Dimethylpropyl)-7-hydroxyspiro[indole-3,4'-piperidin]-1(2H)-yl]phenyl}-3-[4-(trifluoromethoxy)phenyl]urea | C31H35F3N4O3

1-{2-[1'-(2,2-Dimethylpropyl)-7-hydroxyspiro[indole-3,4'-piperidin]-1(2H)-yl]phenyl}-3-[4-(trifluoromethoxy)phenyl]urea

  • Molecular FormulaC31H35F3N4O3
  • Average mass568.630 Da
  • Monoisotopic mass568.266113 Da
  • ChemSpider ID34216322

More details:

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

1-{2-[1'-(2,2-Dimethylpropyl)-7-hydroxyspiro[indole-3,4'-piperidin]-1(2H)-yl]phenyl}-3-[4-(trifluormethoxy)phenyl]harnstoff [German] [ACD/IUPAC Name]
1-{2-[1'-(2,2-Dimethylpropyl)-7-hydroxyspiro[indole-3,4'-piperidin]-1(2H)-yl]phenyl}-3-[4-(trifluoromethoxy)phenyl]urea [ACD/IUPAC Name]
1-{2-[1'-(2,2-Diméthylpropyl)-7-hydroxyspiro[indole-3,4'-piperidin]-1(2H)-yl]phényl}-3-[4-(trifluorométhoxy)phényl]urée [French] [ACD/IUPAC Name]
Urea, N-[2-[1'-(2,2-dimethylpropyl)-7-hydroxyspiro[3H-indole-3,4'-piperidin]-1(2H)-yl]phenyl]-N'-[4-(trifluoromethoxy)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: 581.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.2±3.0 kJ/mol
Flash Point: 305.7±30.1 °C
Index of Refraction: 1.630
Molar Refractivity: 151.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.03
ACD/LogD (pH 5.5): 2.48
ACD/BCF (pH 5.5): 8.21
ACD/KOC (pH 5.5): 20.82
ACD/LogD (pH 7.4): 3.00
ACD/BCF (pH 7.4): 27.07
ACD/KOC (pH 7.4): 68.70
Polar Surface Area: 77 Å2
Polarizability: 59.9±0.5 10-24cm3
Surface Tension: 58.4±5.0 dyne/cm
Molar Volume: 424.8±5.0 cm3

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