ChemSpider 2D Image | [(4S,5R)-4,5-Bis(4-chlorophenyl)-2,4,5-trimethyl-4,5-dihydro-1H-imidazol-1-yl]{4-[3-(methylsulfonyl)propyl]-1-piperazinyl}methanone | C27H34Cl2N4O3S

[(4S,5R)-4,5-Bis(4-chlorophenyl)-2,4,5-trimethyl-4,5-dihydro-1H-imidazol-1-yl]{4-[3-(methylsulfonyl)propyl]-1-piperazinyl}methanone

  • Molecular FormulaC27H34Cl2N4O3S
  • Average mass565.555 Da
  • Monoisotopic mass564.172852 Da
  • ChemSpider ID30822875

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(4S,5R)-4,5-Bis(4-chlorophenyl)-2,4,5-trimethyl-4,5-dihydro-1H-imidazol-1-yl]{4-[3-(methylsulfonyl)propyl]-1-piperazinyl}methanone [ACD/IUPAC Name]
[(4S,5R)-4,5-Bis(4-chlorophényl)-2,4,5-triméthyl-4,5-dihydro-1H-imidazol-1-yl]{4-[3-(méthylsulfonyl)propyl]-1-pipérazinyl}méthanone [French] [ACD/IUPAC Name]
[(4s,5r)-4,5-Bis(4-Chlorophenyl)-2,4,5-Trimethyl-4,5-Dihydro-1h-Imidazol-1-Yl]{4-[3-(Methylsulfonyl)propyl]piperazin-1-Yl}methanone
[(4S,5R)-4,5-Bis(4-chlorphenyl)-2,4,5-trimethyl-4,5-dihydro-1H-imidazol-1-yl]{4-[3-(methylsulfonyl)propyl]-1-piperazinyl}methanon [German] [ACD/IUPAC Name]
Methanone, [(4S,5R)-4,5-bis(4-chlorophenyl)-4,5-dihydro-2,4,5-trimethyl-1H-imidazol-1-yl][4-[3-(methylsulfonyl)propyl]-1-piperazinyl]- [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: 680.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.9±3.0 kJ/mol
Flash Point: 365.5±34.3 °C
Index of Refraction: 1.618
Molar Refractivity: 151.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.78
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 14.95
ACD/KOC (pH 5.5): 109.91
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 207.67
ACD/KOC (pH 7.4): 1527.00
Polar Surface Area: 82 Å2
Polarizability: 60.2±0.5 10-24cm3
Surface Tension: 48.7±7.0 dyne/cm
Molar Volume: 433.1±7.0 cm3

Click to predict properties on the Chemicalize site


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