ChemSpider 2D Image | 1-(4-{[(4S,5R)-4,5-Bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxyphenyl)-4,5-dihydro-1H-imidazol-1-yl]carbonyl}-1-piperazinyl)ethanone | C32H34Cl2N4O4

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

  • Molecular FormulaC32H34Cl2N4O4
  • Average mass609.543 Da
  • Monoisotopic mass608.195740 Da
  • ChemSpider ID9839172

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-(4-{[(4S,5R)-4,5-Bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxyphenyl)-4,5-dihydro-1H-imidazol-1-yl]carbonyl}-1-piperazinyl)ethanone [ACD/IUPAC Name]
1-(4-{[(4S,5R)-4,5-Bis(4-chlorophényl)-2-(2-isopropoxy-4-méthoxyphényl)-4,5-dihydro-1H-imidazol-1-yl]carbonyl}-1-pipérazinyl)éthanone [French] [ACD/IUPAC Name]
1-(4-{[(4S,5R)-4,5-Bis(4-chlorphenyl)-2-(2-isopropoxy-4-methoxyphenyl)-4,5-dihydro-1H-imidazol-1-yl]carbonyl}-1-piperazinyl)ethanon [German] [ACD/IUPAC Name]
1-[4-({(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-1-yl]ethanone
Ethanone, 1-[4-[[(4S,5R)-4,5-bis(4-chlorophenyl)-4,5-dihydro-2-[4-methoxy-2-(1-methylethoxy)phenyl]-1H-imidazol-1-yl]carbonyl]-1-piperazinyl]- [ACD/Index Name]
1-{4-[(4S,5R)-4,5-Bis-(4-chloro-phenyl)-2-(2-isopropoxy-4-methoxy-phenyl)-4,5-dihydro-imidazole-1-carbonyl]-piperazin-1-yl}-ethanone
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL414662/

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 734.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.1±3.0 kJ/mol
Flash Point: 397.9±35.7 °C
Index of Refraction: 1.630
Molar Refractivity: 165.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.19
ACD/LogD (pH 5.5): 5.45
ACD/BCF (pH 5.5): 8165.43
ACD/KOC (pH 5.5): 21747.91
ACD/LogD (pH 7.4): 5.47
ACD/BCF (pH 7.4): 8455.66
ACD/KOC (pH 7.4): 22520.93
Polar Surface Area: 75 Å2
Polarizability: 65.5±0.5 10-24cm3
Surface Tension: 47.1±7.0 dyne/cm
Molar Volume: 464.0±7.0 cm3

Click to predict properties on the Chemicalize site


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