ChemSpider 2D Image | 4-{4-[3-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanoyl]-1-piperazinyl}-N-[2-fluoro-4-({[(1R,2R)-2-(3-pyridinyl)cyclopropyl]carbonyl}amino)benzyl]benzamide | C34H33FN6O5

4-{4-[3-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanoyl]-1-piperazinyl}-N-[2-fluoro-4-({[(1R,2R)-2-(3-pyridinyl)cyclopropyl]carbonyl}amino)benzyl]benzamide

  • Molecular FormulaC34H33FN6O5
  • Average mass624.661 Da
  • Monoisotopic mass624.249634 Da
  • ChemSpider ID114391205

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-{4-[3-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanoyl]-1-piperazinyl}-N-[2-fluor-4-({[(1R,2R)-2-(3-pyridinyl)cyclopropyl]carbonyl}amino)benzyl]benzamid [German] [ACD/IUPAC Name]
4-{4-[3-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanoyl]-1-piperazinyl}-N-[2-fluoro-4-({[(1R,2R)-2-(3-pyridinyl)cyclopropyl]carbonyl}amino)benzyl]benzamide [ACD/IUPAC Name]
4-{4-[3-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanoyl]-1-pipérazinyl}-N-[2-fluoro-4-({[(1R,2R)-2-(3-pyridinyl)cyclopropyl]carbonyl}amino)benzyl]benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-[4-[3-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxopropyl]-1-piperazinyl]-N-[[2-fluoro-4-[[[(1R,2R)-2-(3-pyridinyl)cyclopropyl]carbonyl]amino]phenyl]methyl]- [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: 940.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.9±3.0 kJ/mol
Flash Point: 522.4±34.3 °C
Index of Refraction: 1.662
Molar Refractivity: 165.7±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 1.34
ACD/LogD (pH 5.5): 1.27
ACD/BCF (pH 5.5): 4.55
ACD/KOC (pH 5.5): 83.20
ACD/LogD (pH 7.4): 1.59
ACD/BCF (pH 7.4): 9.49
ACD/KOC (pH 7.4): 173.61
Polar Surface Area: 132 Å2
Polarizability: 65.7±0.5 10-24cm3
Surface Tension: 68.6±3.0 dyne/cm
Molar Volume: 447.7±3.0 cm3

Click to predict properties on the Chemicalize site


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