ChemSpider 2D Image | N-{[1-(3,4-Dichlorophenyl)-5-methyl-1H-pyrazol-4-yl]carbonyl}-L-valyl-N-[(3S)-1,1,1-trifluoro-4-methyl-2-oxo-3-pentanyl]-L-prolinamide | C27H32Cl2F3N5O4

N-{[1-(3,4-Dichlorophenyl)-5-methyl-1H-pyrazol-4-yl]carbonyl}-L-valyl-N-[(3S)-1,1,1-trifluoro-4-methyl-2-oxo-3-pentanyl]-L-prolinamide

  • Molecular FormulaC27H32Cl2F3N5O4
  • Average mass618.475 Da
  • Monoisotopic mass617.178345 Da
  • ChemSpider ID8328848

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Prolinamide, N-[[1-(3,4-dichlorophenyl)-5-methyl-1H-pyrazol-4-yl]carbonyl]-L-valyl-N-[(1S)-3,3,3-trifluoro-1-(1-methylethyl)-2-oxopropyl]- [ACD/Index Name]
N-{[1-(3,4-Dichlorophenyl)-5-methyl-1H-pyrazol-4-yl]carbonyl}-L-valyl-N-[(3S)-1,1,1-trifluoro-4-methyl-2-oxo-3-pentanyl]-L-prolinamide [ACD/IUPAC Name]
N-{[1-(3,4-Dichlorophényl)-5-méthyl-1H-pyrazol-4-yl]carbonyl}-L-valyl-N-[(3S)-1,1,1-trifluoro-4-méthyl-2-oxo-3-pentanyl]-L-prolinamide [French] [ACD/IUPAC Name]
N-{[1-(3,4-Dichlorphenyl)-5-methyl-1H-pyrazol-4-yl]carbonyl}-L-valyl-N-[(3S)-1,1,1-trifluor-4-methyl-2-oxo-3-pentanyl]-L-prolinamid [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: 760.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.8±3.0 kJ/mol
Flash Point: 414.0±32.9 °C
Index of Refraction: 1.599
Molar Refractivity: 148.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.08
ACD/LogD (pH 5.5): 4.46
ACD/BCF (pH 5.5): 1388.29
ACD/KOC (pH 5.5): 5950.97
ACD/LogD (pH 7.4): 3.47
ACD/BCF (pH 7.4): 142.27
ACD/KOC (pH 7.4): 609.86
Polar Surface Area: 113 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 44.0±7.0 dyne/cm
Molar Volume: 434.0±7.0 cm3

Click to predict properties on the Chemicalize site


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