ChemSpider 2D Image | (3R)-3-({(1R)-1-[4-Chloro-2-fluoro-3-({6-[4-(hydroxymethyl)-1H-pyrazol-1-yl]-3-pyridinyl}carbonyl)phenyl]propyl}amino)butanamide | C23H25ClFN5O3

(3R)-3-({(1R)-1-[4-Chloro-2-fluoro-3-({6-[4-(hydroxymethyl)-1H-pyrazol-1-yl]-3-pyridinyl}carbonyl)phenyl]propyl}amino)butanamide

  • Molecular FormulaC23H25ClFN5O3
  • Average mass473.928 Da
  • Monoisotopic mass473.162994 Da
  • ChemSpider ID76806057

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R)-3-({(1R)-1-[4-Chlor-2-fluor-3-({6-[4-(hydroxymethyl)-1H-pyrazol-1-yl]-3-pyridinyl}carbonyl)phenyl]propyl}amino)butanamid [German] [ACD/IUPAC Name]
(3R)-3-({(1R)-1-[4-Chloro-2-fluoro-3-({6-[4-(hydroxymethyl)-1H-pyrazol-1-yl]-3-pyridinyl}carbonyl)phenyl]propyl}amino)butanamide [ACD/IUPAC Name]
(3R)-3-({(1R)-1-[4-Chloro-2-fluoro-3-({6-[4-(hydroxyméthyl)-1H-pyrazol-1-yl]-3-pyridinyl}carbonyl)phényl]propyl}amino)butanamide [French] [ACD/IUPAC Name]
Butanamide, 3-[[(1R)-1-[4-chloro-2-fluoro-3-[[6-[4-(hydroxymethyl)-1H-pyrazol-1-yl]-3-pyridinyl]carbonyl]phenyl]propyl]amino]-, (3R)- [ACD/Index 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: 726.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.4±3.0 kJ/mol
Flash Point: 393.3±32.9 °C
Index of Refraction: 1.638
Molar Refractivity: 122.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 0.48
ACD/LogD (pH 5.5): -0.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.20
ACD/LogD (pH 7.4): 0.91
ACD/BCF (pH 7.4): 2.35
ACD/KOC (pH 7.4): 50.52
Polar Surface Area: 123 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 50.6±7.0 dyne/cm
Molar Volume: 341.0±7.0 cm3

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