ChemSpider 2D Image | (5R)-5-(4-Chloro-3-fluorophenyl)-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-[1-(2-methyl-2-propanyl)-1H-pyrazol-3-yl]-L-proline | C23H29ClFN3O4

(5R)-5-(4-Chloro-3-fluorophenyl)-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-[1-(2-methyl-2-propanyl)-1H-pyrazol-3-yl]-L-proline

  • Molecular FormulaC23H29ClFN3O4
  • Average mass465.945 Da
  • Monoisotopic mass465.183075 Da
  • ChemSpider ID117032795

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(5R)-5-(4-Chlor-3-fluorphenyl)-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-[1-(2-methyl-2-propanyl)-1H-pyrazol-3-yl]-L-prolin [German] [ACD/IUPAC Name]
(5R)-5-(4-Chloro-3-fluorophenyl)-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-[1-(2-methyl-2-propanyl)-1H-pyrazol-3-yl]-L-proline [ACD/IUPAC Name]
(5R)-5-(4-Chloro-3-fluorophényl)-1-{[(2-méthyl-2-propanyl)oxy]carbonyl}-4-[1-(2-méthyl-2-propanyl)-1H-pyrazol-3-yl]-L-proline [French] [ACD/IUPAC Name]
1,2-Pyrrolidinedicarboxylic acid, 5-(4-chloro-3-fluorophenyl)-4-[1-(1,1-dimethylethyl)-1H-pyrazol-3-yl]-, 1-(1,1-dimethylethyl) ester, (2S,5R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 573.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.4±3.0 kJ/mol
Flash Point: 300.8±30.1 °C
Index of Refraction: 1.584
Molar Refractivity: 120.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.03
ACD/LogD (pH 5.5): 2.53
ACD/BCF (pH 5.5): 16.99
ACD/KOC (pH 5.5): 74.30
ACD/LogD (pH 7.4): 0.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.08
Polar Surface Area: 85 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 42.2±7.0 dyne/cm
Molar Volume: 359.3±7.0 cm3

Click to predict properties on the Chemicalize site


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