ChemSpider 2D Image | [(4r,5s)-4,5-bis(4-chlorophenyl)-2-[4-(1,1-dimethylethyl)-2-ethoxyphenyl]-4,5-dihydro-4,5-dimethyl-1h-imidazol-1-yl][4-[3-(methylsulfonyl)propyl]-1-piperazinyl]methanone | C38H48Cl2N4O4S

[(4r,5s)-4,5-bis(4-chlorophenyl)-2-[4-(1,1-dimethylethyl)-2-ethoxyphenyl]-4,5-dihydro-4,5-dimethyl-1h-imidazol-1-yl][4-[3-(methylsulfonyl)propyl]-1-piperazinyl]methanone

  • Molecular FormulaC38H48Cl2N4O4S
  • Average mass727.783 Da
  • Monoisotopic mass726.277344 Da
  • ChemSpider ID26519238

  • 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-[4-(1,1-dimethylethyl)-2-ethoxyphenyl]-4,5-dihydro-4,5-dimethyl-1h-imidazol-1-yl][4-[3-(methylsulfonyl)propyl]-1-piperazinyl]methanone
{(4R,5S)-4,5-Bis(4-chlorophenyl)-2-[2-ethoxy-4-(2-methyl-2-propanyl)phenyl]-4,5-dimethyl-4,5-dihydro-1H-imidazol-1-yl}{4-[3-(methylsulfonyl)propyl]-1-piperazinyl}methanone [ACD/IUPAC Name]
{(4R,5S)-4,5-Bis(4-chlorophényl)-2-[2-éthoxy-4-(2-méthyl-2-propanyl)phényl]-4,5-diméthyl-4,5-dihydro-1H-imidazol-1-yl}{4-[3-(méthylsulfonyl)propyl]-1-pipérazinyl}méthanone [French] [ACD/IUPAC Name]
{(4R,5S)-4,5-Bis(4-chlorphenyl)-2-[2-ethoxy-4-(2-methyl-2-propanyl)phenyl]-4,5-dimethyl-4,5-dihydro-1H-imidazol-1-yl}{4-[3-(methylsulfonyl)propyl]-1-piperazinyl}methanon [German] [ACD/IUPAC Name]
939981-39-2 [RN]
Methanone, [(4R,5S)-4,5-bis(4-chlorophenyl)-2-[4-(1,1-dimethylethyl)-2-ethoxyphenyl]-4,5-dihydro-4,5-dimethyl-1H-imidazol-1-yl][4-[3-(methylsulfonyl)propyl]-1-piperazinyl]- [ACD/Index Name]
((4r,5s)-4,5-bis(4-chlorophenyl)-2-(4-(1,1-dimethylethyl)-2-ethoxyphenyl)-4,5-dihydro-4,5-dimethyl-1h-imidazol-1-yl)(4-(3-(methylsulfonyl)propyl)-1-piperazinyl)methanon
((4S,5R)-2-(4-(tert-butyl)-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-4,5-dihydro-1H-imidazol-1-yl)(4-(3-(methylsulfonyl)propyl)piperazin-1-yl)methanone
[(4R,5S)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazol-1-yl]-[4-(3-methylsulfonylpropyl)piperazin-1-yl]methanone
[(4S,5R)-4,5-BIS-(4-CHLOROPHENYL)-2-[4-(1,1-DIMETHYLETHYL)-2-ETHOXYPHENYL]-4,5-DIHYDRO-4,5-DIMETHYL-1H-IMIDAZOL-1-YL]-[4-[3-(METHYLSULFONYL)PROPYL]-1-PIPERAZINYL]METHANONE
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 790.4±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.8 mmHg at 25°C
    Enthalpy of Vaporization: 115.0±3.0 kJ/mol
    Flash Point: 431.8±35.7 °C
    Index of Refraction: 1.598
    Molar Refractivity: 201.4±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 6.67
    ACD/LogD (pH 5.5): 5.48
    ACD/BCF (pH 5.5): 4762.67
    ACD/KOC (pH 5.5): 7475.04
    ACD/LogD (pH 7.4): 6.48
    ACD/BCF (pH 7.4): 48492.40
    ACD/KOC (pH 7.4): 76109.23
    Polar Surface Area: 91 Å2
    Polarizability: 79.8±0.5 10-24cm3
    Surface Tension: 44.7±7.0 dyne/cm
    Molar Volume: 590.0±7.0 cm3

    Click to predict properties on the Chemicalize site


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