ChemSpider 2D Image | ONO-AE3-240 | C34H33N3O3

ONO-AE3-240

  • Molecular FormulaC34H33N3O3
  • Average mass531.644 Da
  • Monoisotopic mass531.252197 Da
  • ChemSpider ID13116002

More details:






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

2-[2-{[4-Methyl-2-(1-naphthyl)pentanoyl]amino}-4-(1H-pyrazol-1-ylmethyl)benzyl]benzoesäure [German] [ACD/IUPAC Name]
2-[2-{[4-Methyl-2-(1-naphthyl)pentanoyl]amino}-4-(1H-pyrazol-1-ylmethyl)benzyl]benzoic acid [ACD/IUPAC Name]
Acide 2-[2-{[4-méthyl-2-(1-naphtyl)pentanoyl]amino}-4-(1H-pyrazol-1-ylméthyl)benzyl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[2-[[4-methyl-2-(1-naphthalenyl)-1-oxopentyl]amino]-4-(1H-pyrazol-1-ylmethyl)phenyl]methyl]- [ACD/Index Name]
ONO-AE3-240
2-[[2-[(4-methyl-2-naphthalen-1-ylpentanoyl)amino]-4-(pyrazol-1-ylmethyl)phenyl]methyl]benzoic acid
ONO-AE3240

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

Density: 1.2±0.1 g/cm3
Boiling Point: 774.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.3±3.0 kJ/mol
Flash Point: 422.5±32.9 °C
Index of Refraction: 1.629
Molar Refractivity: 158.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.83
ACD/LogD (pH 5.5): 5.19
ACD/BCF (pH 5.5): 2290.36
ACD/KOC (pH 5.5): 3342.70
ACD/LogD (pH 7.4): 3.73
ACD/BCF (pH 7.4): 78.86
ACD/KOC (pH 7.4): 115.09
Polar Surface Area: 84 Å2
Polarizability: 62.9±0.5 10-24cm3
Surface Tension: 46.8±7.0 dyne/cm
Molar Volume: 446.8±7.0 cm3

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