ChemSpider 2D Image | [(4R,5S)-4,5-Bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxyphenyl)-4,5-dihydro-1H-imidazol-1-yl](1-piperazinyl)methanone | C30H32Cl2N4O3

[(4R,5S)-4,5-Bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxyphenyl)-4,5-dihydro-1H-imidazol-1-yl](1-piperazinyl)methanone

  • Molecular FormulaC30H32Cl2N4O3
  • Average mass567.506 Da
  • Monoisotopic mass566.185120 Da
  • ChemSpider ID8328558
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

[(4R,5S)-4,5-Bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxyphenyl)-4,5-dihydro-1H-imidazol-1-yl](1-piperazinyl)methanone [ACD/IUPAC Name]
[(4R,5S)-4,5-Bis(4-chlorophényl)-2-(2-isopropoxy-4-méthoxyphényl)-4,5-dihydro-1H-imidazol-1-yl](1-pipérazinyl)méthanone [French] [ACD/IUPAC Name]
[(4R,5S)-4,5-Bis(4-chlorphenyl)-2-(2-isopropoxy-4-methoxyphenyl)-4,5-dihydro-1H-imidazol-1-yl](1-piperazinyl)methanon [German] [ACD/IUPAC Name]
Methanone, [(4R,5S)-4,5-bis(4-chlorophenyl)-4,5-dihydro-2-[4-methoxy-2-(1-methylethoxy)phenyl]-1H-imidazol-1-yl]-1-piperazinyl- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 677.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.5±3.0 kJ/mol
Flash Point: 363.8±34.3 °C
Index of Refraction: 1.638
Molar Refractivity: 154.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.39
ACD/LogD (pH 5.5): 3.14
ACD/BCF (pH 5.5): 38.58
ACD/KOC (pH 5.5): 99.70
ACD/LogD (pH 7.4): 4.87
ACD/BCF (pH 7.4): 2048.10
ACD/KOC (pH 7.4): 5292.70
Polar Surface Area: 66 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 47.2±7.0 dyne/cm
Molar Volume: 429.5±7.0 cm3

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