ChemSpider 2D Image | trans-4-{[2-(3-Cyanopyrrolo[1,2-b]pyridazin-7-yl)-5-{[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]carbamoyl}-4-pyridinyl]amino}cyclohexyl cyclopropylcarbamate | C29H34FN7O4

trans-4-{[2-(3-Cyanopyrrolo[1,2-b]pyridazin-7-yl)-5-{[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]carbamoyl}-4-pyridinyl]amino}cyclohexyl cyclopropylcarbamate

  • Molecular FormulaC29H34FN7O4
  • Average mass563.623 Da
  • Monoisotopic mass563.265625 Da
  • ChemSpider ID129094389

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Carbamic acid, N-cyclopropyl-, trans-4-[[2-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-5-[[[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]amino]carbonyl]-4-pyridinyl]amino]cyclohexyl ester [ACD/Index Name]
Cyclopropylcarbamate de trans-4-{[2-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-5-{[(2R)-2-fluoro-3-hydroxy-3-méthylbutyl]carbamoyl}-4-pyridinyl]amino}cyclohexyle [French] [ACD/IUPAC Name]
trans-4-{[2-(3-Cyanopyrrolo[1,2-b]pyridazin-7-yl)-5-{[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]carbamoyl}-4-pyridinyl]amino}cyclohexyl cyclopropylcarbamate [ACD/IUPAC Name]
trans-4-{[2-(3-Cyanpyrrolo[1,2-b]pyridazin-7-yl)-5-{[(2R)-2-fluor-3-hydroxy-3-methylbutyl]carbamoyl}-4-pyridinyl]amino}cyclohexyl-cyclopropylcarbamat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.683
Molar Refractivity: 148.6±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.78
ACD/LogD (pH 5.5): 3.15
ACD/BCF (pH 5.5): 144.15
ACD/KOC (pH 5.5): 1194.25
ACD/LogD (pH 7.4): 3.19
ACD/BCF (pH 7.4): 155.89
ACD/KOC (pH 7.4): 1291.53
Polar Surface Area: 154 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 56.9±7.0 dyne/cm
Molar Volume: 392.0±7.0 cm3

Click to predict properties on the Chemicalize site


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