Found 1 result

Search term: LXVBLMNGFDXXCP (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 2-Oxo-2-{[1-phenyl-3-(2,4,5-trimethylphenyl)-1H-pyrazol-5-yl]amino}ethyl 3-hydroxy-2-naphthoate | C31H27N3O4

2-Oxo-2-{[1-phenyl-3-(2,4,5-trimethylphenyl)-1H-pyrazol-5-yl]amino}ethyl 3-hydroxy-2-naphthoate

  • Molecular FormulaC31H27N3O4
  • Average mass505.564 Da
  • Monoisotopic mass505.200165 Da
  • ChemSpider ID1840273

More details:






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

2-Naphthalenecarboxylic acid, 3-hydroxy-, 2-oxo-2-[[1-phenyl-3-(2,4,5-trimethylphenyl)-1H-pyrazol-5-yl]amino]ethyl ester [ACD/Index Name]
2-Oxo-2-{[1-phenyl-3-(2,4,5-trimethylphenyl)-1H-pyrazol-5-yl]amino}ethyl 3-hydroxy-2-naphthoate [ACD/IUPAC Name]
2-Oxo-2-{[1-phenyl-3-(2,4,5-trimethylphenyl)-1H-pyrazol-5-yl]amino}ethyl-3-hydroxy-2-naphthoat [German] [ACD/IUPAC Name]
3-Hydroxy-2-naphtoate de 2-oxo-2-{[1-phényl-3-(2,4,5-triméthylphényl)-1H-pyrazol-5-yl]amino}éthyle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 747.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.8±3.0 kJ/mol
Flash Point: 405.7±32.9 °C
Index of Refraction: 1.643
Molar Refractivity: 146.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 8.58
ACD/LogD (pH 5.5): 6.74
ACD/BCF (pH 5.5): 77918.77
ACD/KOC (pH 5.5): 110373.62
ACD/LogD (pH 7.4): 6.70
ACD/BCF (pH 7.4): 71076.12
ACD/KOC (pH 7.4): 100680.84
Polar Surface Area: 93 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 48.1±7.0 dyne/cm
Molar Volume: 404.3±7.0 cm3

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