ChemSpider 2D Image | branaplam | C22H27N5O2

branaplam

  • Molecular FormulaC22H27N5O2
  • Average mass393.482 Da
  • Monoisotopic mass393.216461 Da
  • ChemSpider ID34980709

More details:






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

10380
1562338-42-4 [RN]
5-(1H-Pyrazol-4-yl)-2-{6-[(2,2,6,6-tetramethyl-4-piperidinyl)oxy]-3-pyridazinyl}phenol [German] [ACD/IUPAC Name]
5-(1H-Pyrazol-4-yl)-2-{6-[(2,2,6,6-tetramethyl-4-piperidinyl)oxy]-3-pyridazinyl}phenol [ACD/IUPAC Name]
5-(1H-Pyrazol-4-yl)-2-{6-[(2,2,6,6-tétraméthyl-4-pipéridinyl)oxy]-3-pyridazinyl}phénol [French] [ACD/IUPAC Name]
branaplam [French] [INN]
branaplam [Spanish] [INN]
branaplamum [Latin] [INN]
LMI070
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 660.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.6±3.0 kJ/mol
Flash Point: 353.0±31.5 °C
Index of Refraction: 1.576
Molar Refractivity: 111.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.86
ACD/LogD (pH 5.5): 0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.04
ACD/LogD (pH 7.4): 0.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.67
Polar Surface Area: 96 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 50.3±3.0 dyne/cm
Molar Volume: 335.8±3.0 cm3

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