ChemSpider 2D Image | (3E)-1-[(Dihexylamino)methyl]-3-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]-1,3-dihydro-2H-indol-2-one | C32H43N5O2

(3E)-1-[(Dihexylamino)methyl]-3-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]-1,3-dihydro-2H-indol-2-one

  • Molecular FormulaC32H43N5O2
  • Average mass529.716 Da
  • Monoisotopic mass529.341675 Da
  • ChemSpider ID62509955

  • Double-bond stereo - Double-bond stereo

More details:

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

(3E)-1-[(Dihexylamino)methyl]-3-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]-1,3-dihydro-2H-indol-2-on [German] [ACD/IUPAC Name]
(3E)-1-[(Dihexylamino)methyl]-3-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]-1,3-dihydro-2H-indol-2-one [ACD/IUPAC Name]
(3E)-1-[(Dihexylamino)méthyl]-3-[(1,5-diméthyl-3-oxo-2-phényl-2,3-dihydro-1H-pyrazol-4-yl)imino]-1,3-dihydro-2H-indol-2-one [French] [ACD/IUPAC Name]
2H-Indol-2-one, 1-[(dihexylamino)methyl]-3-[(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)imino]-1,3-dihydro-, (3E)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 623.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.3±3.0 kJ/mol
Flash Point: 330.8±34.3 °C
Index of Refraction: 1.592
Molar Refractivity: 159.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 6.81
ACD/LogD (pH 5.5): 4.43
ACD/BCF (pH 5.5): 517.22
ACD/KOC (pH 5.5): 960.37
ACD/LogD (pH 7.4): 5.97
ACD/BCF (pH 7.4): 18081.27
ACD/KOC (pH 7.4): 33572.91
Polar Surface Area: 59 Å2
Polarizability: 63.3±0.5 10-24cm3
Surface Tension: 43.0±7.0 dyne/cm
Molar Volume: 471.9±7.0 cm3

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