ChemSpider 2D Image | (1-Allyl-5-{[2-(2-fluorophenyl)ethyl]amino}-4,5,6,7-tetrahydro-1H-indazol-3-yl)(1-azepanyl)methanone | C25H33FN4O

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

  • Molecular FormulaC25H33FN4O
  • Average mass424.554 Da
  • Monoisotopic mass424.263855 Da
  • ChemSpider ID22202428

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)(1-azepanyl)methanone [ACD/IUPAC Name]
(1-Allyl-5-{[2-(2-fluorophényl)éthyl]amino}-4,5,6,7-tétrahydro-1H-indazol-3-yl)(1-azépanyl)méthanone [French] [ACD/IUPAC Name]
(1-Allyl-5-{[2-(2-fluorphenyl)ethyl]amino}-4,5,6,7-tetrahydro-1H-indazol-3-yl)(1-azepanyl)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](hexahydro-1H-azepin-1-yl)- [ACD/Index Name]
1-allyl-3-(1-azepanylcarbonyl)-N-[2-(2-fluorophenyl)ethyl]-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: 1.2±0.1 g/cm3
Boiling Point: 617.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 327.1±31.5 °C
Index of Refraction: 1.613
Molar Refractivity: 122.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.63
ACD/LogD (pH 5.5): 0.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.30
ACD/LogD (pH 7.4): 1.96
ACD/BCF (pH 7.4): 7.51
ACD/KOC (pH 7.4): 51.49
Polar Surface Area: 50 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 44.5±7.0 dyne/cm
Molar Volume: 351.0±7.0 cm3

Click to predict properties on the Chemicalize site


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