ChemSpider 2D Image | (5R)-2-Amino-5-[4-(difluoromethoxy)phenyl]-5-[4-fluoro-3-(5-fluoro-1-pentyn-1-yl)phenyl]-3-methyl-3,5-dihydro-4H-imidazol-4-one | C22H19F4N3O2

(5R)-2-Amino-5-[4-(difluoromethoxy)phenyl]-5-[4-fluoro-3-(5-fluoro-1-pentyn-1-yl)phenyl]-3-methyl-3,5-dihydro-4H-imidazol-4-one

  • Molecular FormulaC22H19F4N3O2
  • Average mass433.399 Da
  • Monoisotopic mass433.141327 Da
  • ChemSpider ID26329482
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(5R)-2-Amino-5-[4-(difluormethoxy)phenyl]-5-[4-fluor-3-(5-fluor-1-pentin-1-yl)phenyl]-3-methyl-3,5-dihydro-4H-imidazol-4-on [German] [ACD/IUPAC Name]
(5R)-2-Amino-5-[4-(difluoromethoxy)phenyl]-5-[4-fluoro-3-(5-fluoro-1-pentyn-1-yl)phenyl]-3-methyl-3,5-dihydro-4H-imidazol-4-one [ACD/IUPAC Name]
(5R)-2-Amino-5-[4-(difluorométhoxy)phényl]-5-[4-fluoro-3-(5-fluoro-1-pentyn-1-yl)phényl]-3-méthyl-3,5-dihydro-4H-imidazol-4-one [French] [ACD/IUPAC Name]
(5r)-2-Amino-5-[4-(Difluoromethoxy)phenyl]-5-[4-Fluoro-3-(5-Fluoropent-1-Yn-1-Yl)phenyl]-3-Methyl-3,5-Dihydro-4h-Imidazol-4-One
4H-Imidazol-4-one, 2-amino-5-[4-(difluoromethoxy)phenyl]-5-[4-fluoro-3-(5-fluoro-1-pentyn-1-yl)phenyl]-3,5-dihydro-3-methyl-, (5R)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 537.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.5±3.0 kJ/mol
Flash Point: 279.0±32.9 °C
Index of Refraction: 1.557
Molar Refractivity: 107.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.36
ACD/LogD (pH 5.5): 2.56
ACD/BCF (pH 5.5): 35.64
ACD/KOC (pH 5.5): 285.83
ACD/LogD (pH 7.4): 3.23
ACD/BCF (pH 7.4): 166.46
ACD/KOC (pH 7.4): 1334.93
Polar Surface Area: 68 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 39.2±7.0 dyne/cm
Molar Volume: 333.1±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement