ChemSpider 2D Image | 1-(5-Cyano-2-pyridinyl)-3-[(1R,2S)-2-(6-fluoro-2-hydroxy-3-propionylphenyl)cyclopropyl]urea | C19H17FN4O3

1-(5-Cyano-2-pyridinyl)-3-[(1R,2S)-2-(6-fluoro-2-hydroxy-3-propionylphenyl)cyclopropyl]urea

  • Molecular FormulaC19H17FN4O3
  • Average mass368.362 Da
  • Monoisotopic mass368.128479 Da
  • ChemSpider ID128926683

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-(5-Cyan-2-pyridinyl)-3-[(1R,2S)-2-(6-fluor-2-hydroxy-3-propionylphenyl)cyclopropyl]harnstoff [German] [ACD/IUPAC Name]
1-(5-Cyano-2-pyridinyl)-3-[(1R,2S)-2-(6-fluoro-2-hydroxy-3-propionylphenyl)cyclopropyl]urea [ACD/IUPAC Name]
1-(5-Cyano-2-pyridinyl)-3-[(1R,2S)-2-(6-fluoro-2-hydroxy-3-propionylphényl)cyclopropyl]urée [French] [ACD/IUPAC Name]
Urea, N-(5-cyano-2-pyridinyl)-N'-[(1R,2S)-2-[6-fluoro-2-hydroxy-3-(1-oxopropyl)phenyl]cyclopropyl]- [ACD/Index Name]
231957-54-3 [RN]
MIV-1R

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

Density: 1.4±0.1 g/cm3
Boiling Point: 501.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.0±3.0 kJ/mol
Flash Point: 257.3±30.1 °C
Index of Refraction: 1.638
Molar Refractivity: 93.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.63
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 94.99
ACD/KOC (pH 5.5): 903.38
ACD/LogD (pH 7.4): 2.64
ACD/BCF (pH 7.4): 51.39
ACD/KOC (pH 7.4): 488.77
Polar Surface Area: 115 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 71.6±5.0 dyne/cm
Molar Volume: 259.6±5.0 cm3

Click to predict properties on the Chemicalize site


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