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Search term: VRPZKBBWCGPCEA (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1-Ethyl-5-{[2-(3-fluorophenyl)ethyl]amino}-4,5,6,7-tetrahydro-1H-indazol-3-yl)(4-morpholinyl)methanone | C22H29FN4O2

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

  • Molecular FormulaC22H29FN4O2
  • Average mass400.490 Da
  • Monoisotopic mass400.227448 Da
  • ChemSpider ID22227276

More details:

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

(1-Ethyl-5-{[2-(3-fluorophenyl)ethyl]amino}-4,5,6,7-tetrahydro-1H-indazol-3-yl)(4-morpholinyl)methanone [ACD/IUPAC Name]
(1-Éthyl-5-{[2-(3-fluorophényl)éthyl]amino}-4,5,6,7-tétrahydro-1H-indazol-3-yl)(4-morpholinyl)méthanone [French] [ACD/IUPAC Name]
(1-Ethyl-5-{[2-(3-fluorphenyl)ethyl]amino}-4,5,6,7-tetrahydro-1H-indazol-3-yl)(4-morpholinyl)methanon [German] [ACD/IUPAC Name]
Methanone, [1-ethyl-5-[[2-(3-fluorophenyl)ethyl]amino]-4,5,6,7-tetrahydro-1H-indazol-3-yl]-4-morpholinyl- [ACD/Index Name]
1-ethyl-N-[2-(3-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: 611.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.8±3.0 kJ/mol
Flash Point: 323.8±31.5 °C
Index of Refraction: 1.627
Molar Refractivity: 109.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.23
ACD/LogD (pH 5.5): -1.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.51
Polar Surface Area: 59 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 47.0±7.0 dyne/cm
Molar Volume: 309.3±7.0 cm3

Click to predict properties on the Chemicalize site


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