ChemSpider 2D Image | [(4R,5R)-4,5-Bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxyphenyl)-4,5-dihydro-1H-imidazol-1-yl](5-hydroxy-3,6-dihydro-1(2H)-pyrazinyl)methanone | C30H30Cl2N4O4

[(4R,5R)-4,5-Bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxyphenyl)-4,5-dihydro-1H-imidazol-1-yl](5-hydroxy-3,6-dihydro-1(2H)-pyrazinyl)methanone

  • Molecular FormulaC30H30Cl2N4O4
  • Average mass581.490 Da
  • Monoisotopic mass580.164429 Da
  • ChemSpider ID57643093

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(4R,5R)-4,5-Bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxyphenyl)-4,5-dihydro-1H-imidazol-1-yl](5-hydroxy-3,6-dihydro-1(2H)-pyrazinyl)methanone [ACD/IUPAC Name]
[(4R,5R)-4,5-Bis(4-chlorophényl)-2-(2-isopropoxy-4-méthoxyphényl)-4,5-dihydro-1H-imidazol-1-yl](5-hydroxy-3,6-dihydro-1(2H)-pyrazinyl)méthanone [French] [ACD/IUPAC Name]
[(4R,5R)-4,5-Bis(4-chlorphenyl)-2-(2-isopropoxy-4-methoxyphenyl)-4,5-dihydro-1H-imidazol-1-yl](5-hydroxy-3,6-dihydro-1(2H)-pyrazinyl)methanon [German] [ACD/IUPAC Name]
Methanone, [(4R,5R)-4,5-bis(4-chlorophenyl)-4,5-dihydro-2-[4-methoxy-2-(1-methylethoxy)phenyl]-1H-imidazol-1-yl](3,6-dihydro-5-hydroxy-1(2H)-pyrazinyl)- [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: 722.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.8±3.0 kJ/mol
Flash Point: 390.6±35.7 °C
Index of Refraction: 1.648
Molar Refractivity: 155.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.21
ACD/LogD (pH 5.5): 4.40
ACD/BCF (pH 5.5): 1252.81
ACD/KOC (pH 5.5): 5507.11
ACD/LogD (pH 7.4): 4.40
ACD/BCF (pH 7.4): 1254.84
ACD/KOC (pH 7.4): 5516.04
Polar Surface Area: 87 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 49.4±7.0 dyne/cm
Molar Volume: 426.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement