ChemSpider 2D Image | 1-[{[5-(3-Methoxyphenoxy)-1-methyl-3-phenyl-1H-pyrazol-4-yl]methyl}(tetrahydro-2-furanylmethyl)amino]-3-[(2-methyl-2-propanyl)oxy]-2-propanol | C30H41N3O5

1-[{[5-(3-Methoxyphenoxy)-1-methyl-3-phenyl-1H-pyrazol-4-yl]methyl}(tetrahydro-2-furanylmethyl)amino]-3-[(2-methyl-2-propanyl)oxy]-2-propanol

  • Molecular FormulaC30H41N3O5
  • Average mass523.664 Da
  • Monoisotopic mass523.304626 Da
  • ChemSpider ID22694018

More details:






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

1-[{[5-(3-Methoxyphenoxy)-1-methyl-3-phenyl-1H-pyrazol-4-yl]methyl}(tetrahydro-2-furanylmethyl)amino]-3-[(2-methyl-2-propanyl)oxy]-2-propanol [ACD/IUPAC Name]
1-[{[5-(3-Methoxyphenoxy)-1-methyl-3-phenyl-1H-pyrazol-4-yl]methyl}(tetrahydro-2-furanylmethyl)amino]-3-[(2-methyl-2-propanyl)oxy]-2-propanol [German] [ACD/IUPAC Name]
1-[{[5-(3-Méthoxyphénoxy)-1-méthyl-3-phényl-1H-pyrazol-4-yl]méthyl}(tétrahydro-2-furanylméthyl)amino]-3-[(2-méthyl-2-propanyl)oxy]-2-propanol [French] [ACD/IUPAC Name]
2-Propanol, 1-(1,1-dimethylethoxy)-3-[[[5-(3-methoxyphenoxy)-1-methyl-3-phenyl-1H-pyrazol-4-yl]methyl][(tetrahydro-2-furanyl)methyl]amino]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 663.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.5±3.0 kJ/mol
Flash Point: 355.1±31.5 °C
Index of Refraction: 1.568
Molar Refractivity: 147.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 4.65
ACD/LogD (pH 5.5): 3.83
ACD/BCF (pH 5.5): 384.72
ACD/KOC (pH 5.5): 1884.33
ACD/LogD (pH 7.4): 4.24
ACD/BCF (pH 7.4): 972.49
ACD/KOC (pH 7.4): 4763.19
Polar Surface Area: 78 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 40.9±7.0 dyne/cm
Molar Volume: 451.4±7.0 cm3

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