ChemSpider 2D Image | (1-Allyl-5-{[4-(trifluoromethoxy)benzyl]amino}-4,5,6,7-tetrahydro-1H-indazol-3-yl)(4-morpholinyl)methanone | C23H27F3N4O3

(1-Allyl-5-{[4-(trifluoromethoxy)benzyl]amino}-4,5,6,7-tetrahydro-1H-indazol-3-yl)(4-morpholinyl)methanone

  • Molecular FormulaC23H27F3N4O3
  • Average mass464.481 Da
  • Monoisotopic mass464.203522 Da
  • ChemSpider ID22153782

More details:

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

(1-Allyl-5-{[4-(trifluormethoxy)benzyl]amino}-4,5,6,7-tetrahydro-1H-indazol-3-yl)(4-morpholinyl)methanon [German] [ACD/IUPAC Name]
(1-Allyl-5-{[4-(trifluoromethoxy)benzyl]amino}-4,5,6,7-tetrahydro-1H-indazol-3-yl)(4-morpholinyl)methanone [ACD/IUPAC Name]
(1-Allyl-5-{[4-(trifluorométhoxy)benzyl]amino}-4,5,6,7-tétrahydro-1H-indazol-3-yl)(4-morpholinyl)méthanone [French] [ACD/IUPAC Name]
Methanone, 4-morpholinyl[4,5,6,7-tetrahydro-1-(2-propen-1-yl)-5-[[[4-(trifluoromethoxy)phenyl]methyl]amino]-1H-indazol-3-yl]- [ACD/Index Name]
1-allyl-3-(4-morpholinylcarbonyl)-N-[4-(trifluoromethoxy)benzyl]-4,5,6,7-tetrahydro-1H-indazol-5-amine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 602.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.7±3.0 kJ/mol
Flash Point: 318.4±31.5 °C
Index of Refraction: 1.592
Molar Refractivity: 116.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.36
ACD/LogD (pH 5.5): 0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.99
ACD/LogD (pH 7.4): 1.78
ACD/BCF (pH 7.4): 8.79
ACD/KOC (pH 7.4): 101.31
Polar Surface Area: 69 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 43.9±7.0 dyne/cm
Molar Volume: 342.9±7.0 cm3

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