ChemSpider 2D Image | (1-Allyl-5-{[2-(2-fluorophenyl)ethyl]amino}-4,5,6,7-tetrahydro-1H-indazol-3-yl)(4-morpholinyl)methanone | C23H29FN4O2

(1-Allyl-5-{[2-(2-fluorophenyl)ethyl]amino}-4,5,6,7-tetrahydro-1H-indazol-3-yl)(4-morpholinyl)methanone

  • Molecular FormulaC23H29FN4O2
  • Average mass412.500 Da
  • Monoisotopic mass412.227448 Da
  • ChemSpider ID22172198

More details:

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

(1-Allyl-5-{[2-(2-fluorophenyl)ethyl]amino}-4,5,6,7-tetrahydro-1H-indazol-3-yl)(4-morpholinyl)methanone [ACD/IUPAC Name]
(1-Allyl-5-{[2-(2-fluorophényl)éthyl]amino}-4,5,6,7-tétrahydro-1H-indazol-3-yl)(4-morpholinyl)méthanone [French] [ACD/IUPAC Name]
(1-Allyl-5-{[2-(2-fluorphenyl)ethyl]amino}-4,5,6,7-tetrahydro-1H-indazol-3-yl)(4-morpholinyl)methanon [German] [ACD/IUPAC Name]
Methanone, [5-[[2-(2-fluorophenyl)ethyl]amino]-4,5,6,7-tetrahydro-1-(2-propen-1-yl)-1H-indazol-3-yl]-4-morpholinyl- [ACD/Index Name]
1-allyl-N-[2-(2-fluorophenyl)ethyl]-3-(4-morpholinylcarbonyl)-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: 1.3±0.1 g/cm3
Boiling Point: 621.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.0±3.0 kJ/mol
Flash Point: 329.5±31.5 °C
Index of Refraction: 1.620
Molar Refractivity: 114.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.52
ACD/LogD (pH 5.5): -0.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.04
Polar Surface Area: 59 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 46.2±7.0 dyne/cm
Molar Volume: 325.4±7.0 cm3

Click to predict properties on the Chemicalize site


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