ChemSpider 2D Image | Pf-06291874 | C26H28F3N3O4

Pf-06291874

  • Molecular FormulaC26H28F3N3O4
  • Average mass503.513 Da
  • Monoisotopic mass503.203186 Da
  • ChemSpider ID30815270

More details:

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

N-[4-(1-{3,5-Dimethyl-4-[4-(trifluormethyl)-1H-pyrazol-1-yl]phenoxy}butyl)benzoyl]-β-alanin [German] [ACD/IUPAC Name]
N-[4-(1-{3,5-Dimethyl-4-[4-(trifluoromethyl)-1H-pyrazol-1-yl]phenoxy}butyl)benzoyl]-β-alanine [ACD/IUPAC Name]
N-[4-(1-{3,5-Diméthyl-4-[4-(trifluorométhyl)-1H-pyrazol-1-yl]phénoxy}butyl)benzoyl]-β-alanine [French] [ACD/IUPAC Name]
Pf-06291874
β-Alanine, N-[4-[1-[3,5-dimethyl-4-[4-(trifluoromethyl)-1H-pyrazol-1-yl]phenoxy]butyl]benzoyl]- [ACD/Index Name]
1393124-08-7 [RN]
glucagon receptor antagonists-4
MFCD30343861

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

CGY4I8F278 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 675.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.1±3.0 kJ/mol
Flash Point: 362.0±31.5 °C
Index of Refraction: 1.563
Molar Refractivity: 128.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.44
ACD/LogD (pH 5.5): 3.65
ACD/BCF (pH 5.5): 165.58
ACD/KOC (pH 5.5): 557.71
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 2.83
ACD/KOC (pH 7.4): 9.53
Polar Surface Area: 93 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 40.5±7.0 dyne/cm
Molar Volume: 395.1±7.0 cm3

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