ChemSpider 2D Image | [(1S,2S,4S)-4-{[4-(Difluoromethoxy)benzyl]amino}-2-(4-methoxyphenyl)cyclopentyl](4-morpholinyl)methanone | C25H30F2N2O4

[(1S,2S,4S)-4-{[4-(Difluoromethoxy)benzyl]amino}-2-(4-methoxyphenyl)cyclopentyl](4-morpholinyl)methanone

  • Molecular FormulaC25H30F2N2O4
  • Average mass460.513 Da
  • Monoisotopic mass460.217377 Da
  • ChemSpider ID84491655

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

[(1S,2S,4S)-4-{[4-(Difluormethoxy)benzyl]amino}-2-(4-methoxyphenyl)cyclopentyl](4-morpholinyl)methanon [German] [ACD/IUPAC Name]
[(1S,2S,4S)-4-{[4-(Difluoromethoxy)benzyl]amino}-2-(4-methoxyphenyl)cyclopentyl](4-morpholinyl)methanone [ACD/IUPAC Name]
[(1S,2S,4S)-4-{[4-(Difluorométhoxy)benzyl]amino}-2-(4-méthoxyphényl)cyclopentyl](4-morpholinyl)méthanone [French] [ACD/IUPAC Name]
Methanone, [(1S,2S,4S)-4-[[[4-(difluoromethoxy)phenyl]methyl]amino]-2-(4-methoxyphenyl)cyclopentyl]-4-morpholinyl- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 612.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.9±3.0 kJ/mol
Flash Point: 324.1±31.5 °C
Index of Refraction: 1.575
Molar Refractivity: 120.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.09
ACD/LogD (pH 5.5): -0.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.15
ACD/BCF (pH 7.4): 2.02
ACD/KOC (pH 7.4): 22.58
Polar Surface Area: 60 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 49.3±5.0 dyne/cm
Molar Volume: 364.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement