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Search term: HGJTURTZFKNELD (Found by InChIKey (skeleton match))

ChemSpider 2D Image | (1R,2R)-N-(1-Cyanocyclopropyl)-2-[(8-fluoro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)carbonyl]cyclohexanecarboxamide | C23H25FN4O2

(1R,2R)-N-(1-Cyanocyclopropyl)-2-[(8-fluoro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)carbonyl]cyclohexanecarboxamide

  • Molecular FormulaC23H25FN4O2
  • Average mass408.469 Da
  • Monoisotopic mass408.196167 Da
  • ChemSpider ID28643565
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(1R,2R)-N-(1-Cyancyclopropyl)-2-[(8-fluor-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)carbonyl]cyclohexancarboxamid [German] [ACD/IUPAC Name]
(1R,2R)-N-(1-Cyanocyclopropyl)-2-[(8-fluoro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)carbonyl]cyclohexanecarboxamide [ACD/IUPAC Name]
(1R,2R)-N-(1-Cyanocyclopropyl)-2-[(8-fluoro-1,3,4,5-tétrahydro-2H-pyrido[4,3-b]indol-2-yl)carbonyl]cyclohexanecarboxamide [French] [ACD/IUPAC Name]
Cyclohexanecarboxamide, N-(1-cyanocyclopropyl)-2-[(8-fluoro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)carbonyl]-, (1R,2R)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 739.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.8±3.0 kJ/mol
Flash Point: 400.8±32.9 °C
Index of Refraction: 1.652
Molar Refractivity: 109.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.15
ACD/LogD (pH 5.5): 2.18
ACD/BCF (pH 5.5): 26.94
ACD/KOC (pH 5.5): 367.76
ACD/LogD (pH 7.4): 2.18
ACD/BCF (pH 7.4): 26.94
ACD/KOC (pH 7.4): 367.75
Polar Surface Area: 89 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 66.7±5.0 dyne/cm
Molar Volume: 299.0±5.0 cm3

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