Found 1 result

Search term: HYPWYUYQMBEAQR-WUFINQPMSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4-{[(4S,5R)-4-(5-Bromo-2-fluorophenyl)-5-(4-chlorophenyl)-2-(2-isopropoxy-4-methoxyphenyl)-4,5-dihydro-1H-imidazol-1-yl]carbonyl}-2-piperazinone | C30H29BrClFN4O4

4-{[(4S,5R)-4-(5-Bromo-2-fluorophenyl)-5-(4-chlorophenyl)-2-(2-isopropoxy-4-methoxyphenyl)-4,5-dihydro-1H-imidazol-1-yl]carbonyl}-2-piperazinone

  • Molecular FormulaC30H29BrClFN4O4
  • Average mass643.931 Da
  • Monoisotopic mass642.104492 Da
  • ChemSpider ID59053438

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Piperazinone, 4-[[(4S,5R)-4-(5-bromo-2-fluorophenyl)-5-(4-chlorophenyl)-4,5-dihydro-2-[4-methoxy-2-(1-methylethoxy)phenyl]-1H-imidazol-1-yl]carbonyl]- [ACD/Index Name]
4-{[(4S,5R)-4-(5-Brom-2-fluorphenyl)-5-(4-chlorphenyl)-2-(2-isopropoxy-4-methoxyphenyl)-4,5-dihydro-1H-imidazol-1-yl]carbonyl}-2-piperazinon [German] [ACD/IUPAC Name]
4-{[(4S,5R)-4-(5-Bromo-2-fluorophenyl)-5-(4-chlorophenyl)-2-(2-isopropoxy-4-methoxyphenyl)-4,5-dihydro-1H-imidazol-1-yl]carbonyl}-2-piperazinone [ACD/IUPAC Name]
4-{[(4S,5R)-4-(5-Bromo-2-fluorophényl)-5-(4-chlorophényl)-2-(2-isopropoxy-4-méthoxyphényl)-4,5-dihydro-1H-imidazol-1-yl]carbonyl}-2-pipérazinone [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.651
Molar Refractivity: 158.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.93
ACD/LogD (pH 5.5): 4.29
ACD/BCF (pH 5.5): 1074.78
ACD/KOC (pH 5.5): 5144.88
ACD/LogD (pH 7.4): 4.29
ACD/BCF (pH 7.4): 1075.13
ACD/KOC (pH 7.4): 5146.60
Polar Surface Area: 83 Å2
Polarizability: 62.7±0.5 10-24cm3
Surface Tension: 49.2±7.0 dyne/cm
Molar Volume: 432.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement