ChemSpider 2D Image | Ethyl 4-[(E)-([(3,4-difluorobenzoyl)amino]{[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]amino}methylene)amino]benzoate | C25H27F2N5O3

Ethyl 4-[(E)-([(3,4-difluorobenzoyl)amino]{[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]amino}methylene)amino]benzoate

  • Molecular FormulaC25H27F2N5O3
  • Average mass483.510 Da
  • Monoisotopic mass483.208191 Da
  • ChemSpider ID22963311

More details:

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

4-[(E)-([(3,4-Difluorobenzoyl)amino]{[(1-éthyl-3,5-diméthyl-1H-pyrazol-4-yl)méthyl]amino}méthylène)amino]benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[(1E)-[(3,4-difluorobenzoyl)amino][[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]amino]methylene]amino]-, ethyl ester [ACD/Index Name]
Ethyl 4-[(E)-([(3,4-difluorobenzoyl)amino]{[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]amino}methylene)amino]benzoate [ACD/IUPAC Name]
Ethyl-4-[(E)-([(3,4-difluorbenzoyl)amino]{[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]amino}methylen)amino]benzoat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.587
Molar Refractivity: 128.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.24
ACD/LogD (pH 5.5): 4.50
ACD/BCF (pH 5.5): 1542.47
ACD/KOC (pH 5.5): 6657.63
ACD/LogD (pH 7.4): 4.49
ACD/BCF (pH 7.4): 1501.65
ACD/KOC (pH 7.4): 6481.44
Polar Surface Area: 98 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 41.4±7.0 dyne/cm
Molar Volume: 382.0±7.0 cm3

Click to predict properties on the Chemicalize site


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