ChemSpider 2D Image | Methyl 1-({2-[(Z)-({[(7-bromo-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)oxy]acetyl}hydrazono)methyl]phenoxy}methyl)-1H-pyrazole-3-carboxylate | C23H20BrN5O7

Methyl 1-({2-[(Z)-({[(7-bromo-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)oxy]acetyl}hydrazono)methyl]phenoxy}methyl)-1H-pyrazole-3-carboxylate

  • Molecular FormulaC23H20BrN5O7
  • Average mass558.338 Da
  • Monoisotopic mass557.054626 Da
  • ChemSpider ID100491507

  • Double-bond stereo - Double-bond stereo

More details:

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

1-({2-[(Z)-({2-[(7-Bromo-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)oxy]acétyl}hydrazono)méthyl]phénoxy}méthyl)-1H-pyrazole-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
1H-Pyrazole-3-carboxylic acid, 1-[[2-[(Z)-[2-[2-[(7-bromo-3,4-dihydro-3-oxo-2H-1,4-benzoxazin-6-yl)oxy]acetyl]hydrazinylidene]methyl]phenoxy]methyl]-, methyl ester [ACD/Index Name]
Methyl 1-({2-[(Z)-({[(7-bromo-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)oxy]acetyl}hydrazono)methyl]phenoxy}methyl)-1H-pyrazole-3-carboxylate [ACD/IUPAC Name]
Methyl-1-({2-[(Z)-({[(7-brom-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)oxy]acetyl}hydrazono)methyl]phenoxy}methyl)-1H-pyrazol-3-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.672
Molar Refractivity: 130.0±0.5 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 48.23
ACD/KOC (pH 5.5): 557.84
ACD/LogD (pH 7.4): 2.52
ACD/BCF (pH 7.4): 48.22
ACD/KOC (pH 7.4): 557.73
Polar Surface Area: 142 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 59.8±7.0 dyne/cm
Molar Volume: 347.4±7.0 cm3

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