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ChemSpider 2D Image | N-{2-Butoxy-4-[3-(diethylamino)propoxy]phenyl}-3-[4-(4-methoxyphenoxy)phenyl]-1-methyl-1H-pyrazole-5-carboxamide | C35H44N4O5

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

  • Molecular FormulaC35H44N4O5
  • Average mass600.748 Da
  • Monoisotopic mass600.331177 Da
  • ChemSpider ID34239605

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

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

Density: 1.1±0.1 g/cm3
Boiling Point: 688.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.9±3.0 kJ/mol
Flash Point: 369.9±31.5 °C
Index of Refraction: 1.566
Molar Refractivity: 173.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 5.69
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 8.67
ACD/KOC (pH 5.5): 21.63
ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 7.4): 25.44
ACD/KOC (pH 7.4): 63.44
Polar Surface Area: 87 Å2
Polarizability: 68.6±0.5 10-24cm3
Surface Tension: 40.5±7.0 dyne/cm
Molar Volume: 530.8±7.0 cm3

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