ChemSpider 2D Image | N-{2-Butoxy-4-[3-(diethylamino)propoxy]phenyl}-3-[4-(3,4-difluorophenoxy)phenyl]-1-methyl-1H-pyrazole-5-carboxamide | C34H40F2N4O4

N-{2-Butoxy-4-[3-(diethylamino)propoxy]phenyl}-3-[4-(3,4-difluorophenoxy)phenyl]-1-methyl-1H-pyrazole-5-carboxamide

  • Molecular FormulaC34H40F2N4O4
  • Average mass606.703 Da
  • Monoisotopic mass606.301758 Da
  • ChemSpider ID34235492

More details:

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

1H-Pyrazole-5-carboxamide, N-[2-butoxy-4-[3-(diethylamino)propoxy]phenyl]-3-[4-(3,4-difluorophenoxy)phenyl]-1-methyl- [ACD/Index Name]
N-{2-Butoxy-4-[3-(diethylamino)propoxy]phenyl}-3-[4-(3,4-difluorophenoxy)phenyl]-1-methyl-1H-pyrazole-5-carboxamide [ACD/IUPAC Name]
N-{2-Butoxy-4-[3-(diéthylamino)propoxy]phényl}-3-[4-(3,4-difluorophénoxy)phényl]-1-méthyl-1H-pyrazole-5-carboxamide [French] [ACD/IUPAC Name]
N-{2-Butoxy-4-[3-(diethylamino)propoxy]phenyl}-3-[4-(3,4-difluorphenoxy)phenyl]-1-methyl-1H-pyrazol-5-carboxamid [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 662.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.5±3.0 kJ/mol
Flash Point: 354.6±31.5 °C
Index of Refraction: 1.563
Molar Refractivity: 167.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 6.66
ACD/LogD (pH 5.5): 3.18
ACD/BCF (pH 5.5): 27.91
ACD/KOC (pH 5.5): 49.94
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 81.86
ACD/KOC (pH 7.4): 146.46
Polar Surface Area: 78 Å2
Polarizability: 66.2±0.5 10-24cm3
Surface Tension: 39.3±7.0 dyne/cm
Molar Volume: 514.8±7.0 cm3

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