ChemSpider 2D Image | 6-{(2E)-3-[3-(2-Oxo-2H-chromen-3-yl)-1-phenyl-1H-pyrazol-4-yl]-2-propenoyl}-2H-1,4-benzoxazin-3(4H)-one | C29H19N3O5

6-{(2E)-3-[3-(2-Oxo-2H-chromen-3-yl)-1-phenyl-1H-pyrazol-4-yl]-2-propenoyl}-2H-1,4-benzoxazin-3(4H)-one

  • Molecular FormulaC29H19N3O5
  • Average mass489.478 Da
  • Monoisotopic mass489.132477 Da
  • ChemSpider ID31517953

  • Double-bond stereo - Double-bond stereo

More details:

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

2H-1,4-Benzoxazin-3(4H)-one, 6-[(2E)-1-oxo-3-[3-(2-oxo-2H-1-benzopyran-3-yl)-1-phenyl-1H-pyrazol-4-yl]-2-propen-1-yl]- [ACD/Index Name]
6-{(2E)-3-[3-(2-Oxo-2H-chromen-3-yl)-1-phenyl-1H-pyrazol-4-yl]-2-propenoyl}-2H-1,4-benzoxazin-3(4H)-on [German] [ACD/IUPAC Name]
6-{(2E)-3-[3-(2-Oxo-2H-chromen-3-yl)-1-phenyl-1H-pyrazol-4-yl]-2-propenoyl}-2H-1,4-benzoxazin-3(4H)-one [ACD/IUPAC Name]
6-{(2E)-3-[3-(2-Oxo-2H-chromén-3-yl)-1-phényl-1H-pyrazol-4-yl]-2-propenoyl}-2H-1,4-benzoxazin-3(4H)-one [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 807.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.3±3.0 kJ/mol
Flash Point: 441.9±34.3 °C
Index of Refraction: 1.700
Molar Refractivity: 136.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.59
ACD/LogD (pH 5.5): 3.93
ACD/BCF (pH 5.5): 566.75
ACD/KOC (pH 5.5): 3254.44
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 566.74
ACD/KOC (pH 7.4): 3254.42
Polar Surface Area: 100 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 58.2±7.0 dyne/cm
Molar Volume: 352.7±7.0 cm3

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