ChemSpider 2D Image | Methyl (4S,5R)-5-(2,3-difluorophenyl)-1-methyl-4-{[2-(1H-pyrazol-1-yl)ethyl]carbamoyl}-L-prolinate | C19H22F2N4O3

Methyl (4S,5R)-5-(2,3-difluorophenyl)-1-methyl-4-{[2-(1H-pyrazol-1-yl)ethyl]carbamoyl}-L-prolinate

  • Molecular FormulaC19H22F2N4O3
  • Average mass392.400 Da
  • Monoisotopic mass392.165985 Da
  • ChemSpider ID22868236

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4S,5R)-5-(2,3-Difluorophényl)-1-méthyl-4-{[2-(1H-pyrazol-1-yl)éthyl]carbamoyl}-L-prolinate de méthyle [French] [ACD/IUPAC Name]
L-Proline, 5-(2,3-difluorophenyl)-1-methyl-4-[[[2-(1H-pyrazol-1-yl)ethyl]amino]carbonyl]-, methyl ester, (4S,5R)- [ACD/Index Name]
Methyl (4S,5R)-5-(2,3-difluorophenyl)-1-methyl-4-{[2-(1H-pyrazol-1-yl)ethyl]carbamoyl}-L-prolinate [ACD/IUPAC Name]
Methyl-(4S,5R)-5-(2,3-difluorphenyl)-1-methyl-4-{[2-(1H-pyrazol-1-yl)ethyl]carbamoyl}-L-prolinat [German] [ACD/IUPAC Name]
methyl (2S*,4S*,5R*)-5-(2,3-difluorophenyl)-1-methyl-4-({[2-(1H-pyrazol-1-yl)ethyl]amino}carbonyl)-2-pyrrolidinecarboxylate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 537.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.4±3.0 kJ/mol
Flash Point: 278.6±30.1 °C
Index of Refraction: 1.601
Molar Refractivity: 98.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.90
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 3.80
ACD/KOC (pH 5.5): 71.23
ACD/LogD (pH 7.4): 1.54
ACD/BCF (pH 7.4): 8.66
ACD/KOC (pH 7.4): 162.43
Polar Surface Area: 76 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 44.7±7.0 dyne/cm
Molar Volume: 288.9±7.0 cm3

Click to predict properties on the Chemicalize site


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